NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 D 4.7267 8.2076 120.4731 54.4327 43.0939 173.6463 9 F 5.2451 7.7994 116.9800 55.1599 41.5841 168.3555 10 V 4.7089 9.1470 111.8195 59.6023 36.2304 176.1999 11 V 4.6800 8.6632 124.2530 61.4085 33.5729 174.4761 12 I 5.0651 8.9926 128.5521 59.3367 40.7642 174.1042 13 K 4.9207 8.9073 128.3738 54.2137 34.7949 174.8383 14 A 4.3115 8.7701 130.3088 52.2177 18.6264 178.0724 15 V 4.0956 8.6711 123.6093 64.6823 32.4435 175.5526 16 E 4.7408 7.8504 117.2895 54.2413 33.6142 174.1197 17 D 4.4856 8.3953 120.0748 55.5212 41.3462 176.2626 18 G 3.8155 8.5470 106.0987 46.6426 0.0000 173.7242 19 V 4.2164 7.2825 118.2020 62.0319 33.1595 174.4522 20 N 5.3989 9.0284 124.1832 51.3700 42.2765 173.4324 21 V 4.5934 8.7293 123.3732 61.2766 33.9553 174.1438 22 I 4.6660 8.8280 129.6360 59.3583 39.9963 174.8982 23 G 4.2452 8.7368 114.3611 44.6833 0.0000 172.3667 24 L 5.5501 8.7750 124.2999 52.8070 44.2608 176.1990 25 T 4.4292 8.7890 114.2533 61.7706 69.4625 174.2045 26 R 4.3629 8.0169 125.8575 56.3154 30.9726 175.3339 27 G 3.8417 8.8202 110.7435 44.1543 0.0000 173.0524 28 T 3.9725 8.5477 109.1481 64.2959 68.8972 174.3457 29 D 4.7404 7.8073 120.0178 53.0667 42.2951 176.0026 30 T 4.7318 8.2880 118.4684 61.8940 70.8384 173.1200 31 K 4.6897 8.9215 125.0431 54.9866 37.0304 175.3392 32 F 5.1323 8.6889 120.0723 58.0592 38.7049 175.2840 33 H 4.8941 8.8080 119.4503 56.6019 30.0625 174.6711 34 H 4.7493 7.6235 117.1875 55.1054 33.2784 172.1272 35 S 4.7277 8.2937 119.2857 56.4355 64.7179 172.4693 36 E 4.3803 9.2130 130.0686 54.7301 30.7142 175.3538 37 K 4.5704 8.6363 127.1753 56.3439 33.1787 176.4668 38 L 4.6711 8.9115 124.7754 53.0548 44.3679 176.0730 39 D 4.7219 8.8190 123.9555 52.7826 42.7307 176.2025 40 K 3.7977 8.6858 121.5761 58.5381 32.3760 177.3883 41 G 4.0185 9.1451 114.2628 45.6060 0.0000 173.5761 42 E 4.3838 8.0245 119.4682 56.0009 31.0830 175.9007 43 V 4.9068 8.1620 120.7192 61.1697 34.8865 174.3966 44 I 4.5600 8.7657 126.8871 59.1772 41.3226 173.8612 45 I 4.8760 8.3918 129.1069 59.5848 38.9197 174.6635 46 A 4.7125 8.9015 129.2617 50.1303 21.8430 175.1610 47 Q 4.9423 8.5198 120.2598 54.4653 31.0312 175.5170 48 F 4.7104 8.5978 120.2599 57.8880 39.9725 175.3469 49 T 4.7143 8.7279 111.1140 60.4339 71.8013 173.3217 50 E 4.0561 8.9038 119.8545 59.6637 29.6425 178.1048 51 H 4.5491 8.0688 115.0214 56.4108 29.7511 174.6743 52 T 5.1516 8.1299 116.5951 62.0290 70.0829 174.2236 53 S 4.9177 8.6918 120.3139 57.8383 64.1736 173.2904 54 A 5.0984 7.7468 122.0189 51.1369 22.5465 175.2023 55 I 4.9760 8.5891 120.8717 59.3135 40.7560 174.7147 56 K 4.5812 8.8871 127.8821 54.4680 34.8080 174.6371 57 V 4.8186 8.3956 126.5955 61.0482 33.8390 174.3451 58 R 4.4858 8.8169 128.0575 55.1944 32.9260 174.1818 59 G 4.0163 8.9964 111.1967 43.7453 0.0000 172.3367 60 E 4.5087 8.7378 119.7049 55.8805 30.4150 175.0847 61 A 4.9778 8.8968 127.6765 50.9397 23.5595 174.0502 62 L 4.9084 8.7587 121.7347 53.5629 44.3941 175.3285 63 I 5.0264 8.9331 126.6142 59.6197 40.6201 174.2935 64 Q 5.2173 8.9249 125.8733 54.4729 31.8722 175.0038 65 T 4.8816 8.7936 112.5710 59.8682 72.3842 174.2254 66 A 3.8411 8.4638 123.0925 55.2366 18.1860 177.9398 67 Y 4.7804 7.5210 111.6040 57.7915 38.6711 174.6350 68 G 3.9290 7.6041 106.2618 44.0540 0.0000 172.7042 69 E 5.2559 8.5889 118.8979 55.0884 32.3664 175.4098 70 M 4.8640 9.0910 121.2382 53.9053 36.4447 173.3389 71 K 5.0675 8.6545 125.7510 54.6491 34.4609 175.5005 72 S 4.7519 8.7457 122.3458 57.6688 65.2050 172.9482 73 E 5.1754 8.4343 119.7496 54.4759 33.1955 175.7217 74 K 4.1003 9.1885 123.8410 56.6766 32.2351 176.3269 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 8 D 8.21 4.73 0.00 2.82 2.65 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 9 F 7.80 5.25 0.00 3.07 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 10 V 9.15 4.71 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 0.61 0.00 0.00 0.84 0.00 0.00 11 V 8.66 4.68 2.14 0.00 0.00 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 1.10 0.00 0.00 12 I 8.99 5.07 1.84 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 1.09 0.59 0.89 0.00 0.00 13 K 8.91 4.92 0.00 1.79 1.63 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.34 7.81 14 A 8.77 4.31 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.67 4.10 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 0.78 0.00 0.00 0.93 0.00 0.00 16 E 7.85 4.74 0.00 1.92 1.78 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 2.20 2.25 0.00 17 D 8.40 4.49 0.00 2.66 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 18 G 8.55 3.82 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 0.00 0.00 0.00 19 V 7.28 4.22 2.23 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 1.04 0.00 0.00 1.01 0.00 0.00 20 N 9.03 5.40 0.00 2.65 2.54 0.00 0.00 6.28 7.20 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 21 V 8.73 4.59 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 0.90 0.00 0.00 0.88 0.00 0.00 22 I 8.83 4.67 1.40 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.29 -0.22 0.00 0.00 23 G 8.74 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.78 5.55 0.00 1.87 1.70 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.79 4.43 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 1.36 0.00 0.00 26 R 8.02 4.36 0.00 1.91 2.00 0.00 3.28 0.00 0.00 3.08 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.44 0.00 27 G 8.82 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 0.00 0.00 0.00 28 T 8.55 3.97 4.25 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 0.00 0.00 0.00 1.22 0.00 0.00 29 D 7.81 4.74 0.00 2.70 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.29 4.73 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 31 K 8.92 4.69 0.00 1.75 1.85 0.00 1.31 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.47 7.81 32 F 8.69 5.13 0.00 2.89 2.84 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 33 H 8.81 4.89 0.00 3.17 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.62 4.75 0.00 3.30 3.07 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.29 4.73 0.00 3.72 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 36 E 9.21 4.38 0.00 2.11 1.77 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 2.25 2.31 0.00 37 K 8.64 4.57 0.00 1.66 1.71 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.43 7.81 38 L 8.91 4.67 0.00 1.66 1.53 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.82 4.72 0.00 2.63 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.69 3.80 0.00 1.78 1.74 0.00 2.01 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.53 7.81 41 G 9.15 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 0.00 0.00 0.00 42 E 8.02 4.38 0.00 2.04 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 2.30 2.31 0.00 43 V 8.16 4.91 2.05 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 0.81 0.00 0.00 0.92 0.00 0.00 44 I 8.77 4.56 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.17 0.92 0.00 0.00 45 I 8.39 4.88 1.60 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.54 0.33 0.00 0.00 46 A 8.90 4.71 1.09 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 0.00 0.00 47 Q 8.52 4.94 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 48 F 8.60 4.71 0.00 3.00 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 49 T 8.73 4.71 4.29 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 1.28 0.00 0.00 50 E 8.90 4.06 0.00 1.67 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 2.28 2.39 0.00 51 H 8.07 4.55 0.00 3.17 3.26 0.00 5.75 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.13 5.15 4.34 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 0.00 0.00 0.00 1.29 0.00 0.00 53 S 8.69 4.92 0.00 3.91 4.09 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 54 A 7.75 5.10 1.33 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 0.00 0.00 0.00 55 I 8.59 4.98 1.78 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.58 0.82 0.00 0.00 56 K 8.89 4.58 0.00 1.75 1.43 0.00 1.66 0.00 0.00 1.52 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.26 1.34 7.81 57 V 8.40 4.82 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 0.81 0.00 0.00 0.90 0.00 0.00 58 R 8.82 4.49 0.00 1.87 1.68 0.00 3.13 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 59 G 9.00 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 0.00 0.00 0.00 60 E 8.74 4.51 0.00 2.11 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 2.37 2.37 0.00 61 A 8.90 4.98 1.22 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 0.00 0.00 0.00 62 L 8.76 4.91 0.00 1.77 1.52 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.93 5.03 1.99 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 1.22 0.70 0.92 0.00 0.00 64 Q 8.92 5.22 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 65 T 8.79 4.88 4.00 0.00 0.00 0.00 0.00 0.00 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 66 A 8.46 3.84 0.95 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 67 Y 7.52 4.78 0.00 2.98 2.85 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 0.00 0.00 0.00 68 G 7.60 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.59 5.26 0.00 1.86 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 70 M 9.09 4.86 0.00 2.08 1.86 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 71 K 8.65 5.07 0.00 1.78 1.66 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.50 1.40 7.81 72 S 8.75 4.75 0.00 3.95 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 73 E 8.43 5.18 0.00 1.82 1.84 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 2.20 2.27 0.00 74 K 9.19 4.10 0.00 1.77 1.68 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.37 7.81