NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.1563 7.9133 120.6693 62.9544 33.0789 174.0015 3 D 5.3271 8.6503 127.2303 52.7212 43.5133 173.6067 4 Y 4.8395 9.3701 119.2196 56.2937 42.3065 174.0650 5 I 4.7407 8.6895 122.8788 59.4796 40.5784 174.5697 6 V 4.2319 8.6425 129.4793 62.7380 31.9535 175.9927 7 E 4.3469 9.3935 127.2089 56.8719 31.2858 175.9652 8 Y 4.8078 7.8322 115.8390 55.8746 41.9774 174.8842 9 D 4.7995 9.1977 123.6212 55.3850 41.6784 175.3494 10 Y 4.7287 9.0497 123.4309 55.8357 42.4144 173.3994 11 D 5.0514 7.4367 124.9538 51.8363 43.1388 176.1621 12 A 4.2771 8.4848 127.0583 52.7013 18.7635 177.4921 13 V 4.0012 9.0916 122.5342 63.5696 32.5669 175.0632 14 H 5.0020 7.8970 114.8017 54.3970 32.8550 174.0461 15 D 4.4469 8.7033 120.5518 57.0826 40.8912 177.3837 16 D 4.6381 8.1542 117.1116 53.9352 40.0778 175.3671 17 E 5.3186 8.1027 119.6622 55.2229 31.7806 175.2532 18 L 4.6897 9.1721 122.3079 53.9961 43.2649 176.5405 19 T 4.7014 8.5057 120.3213 62.9869 69.5317 174.2065 20 I 4.8897 9.0514 119.4046 59.2224 41.5891 174.4198 21 R 5.1736 8.8743 121.9304 54.1956 34.1578 174.8755 22 V 3.5908 8.3834 121.7375 64.3133 31.8988 176.2739 23 G 4.0306 8.9254 116.0997 45.3193 0.0000 173.6628 24 E 4.1781 8.1863 119.9328 56.4260 30.7896 175.9513 25 I 4.6943 8.2074 123.9731 60.0205 38.9160 175.0263 26 I 4.4704 9.2204 129.5002 60.0673 38.6689 175.1623 27 R 4.9429 9.0184 124.2169 53.9170 31.9401 175.4843 28 N 4.1437 8.6411 117.0148 54.8064 37.0411 174.4796 29 V 4.2639 8.1982 118.1030 62.7958 32.9420 176.1426 30 K 4.7655 9.3501 127.3249 54.3232 35.3369 175.7128 31 K 4.4596 8.6397 123.0427 56.4619 32.7747 176.5790 32 L 4.5918 7.7904 122.7282 53.2174 43.3424 177.0265 33 Q 4.0395 8.7308 119.9298 58.9238 28.8907 177.5668 34 E 3.8161 8.1574 117.1467 56.4842 29.8593 175.8743 35 E 4.0221 8.7064 127.1929 57.2838 30.5041 176.6149 36 G 4.0284 9.1572 113.2436 45.3284 0.0000 172.1772 37 W 4.8074 7.8184 118.4988 54.4532 33.0461 174.3584 38 L 4.6865 8.3608 122.6020 52.6600 45.3466 174.9017 39 E 4.9990 8.2951 121.2817 54.8138 32.9952 175.1648 40 G 4.2667 8.8509 111.7839 46.0602 0.0000 170.7508 41 E 5.3186 9.1730 121.1378 54.2349 32.1921 174.9035 42 L 4.7162 8.9719 128.7251 53.7046 45.5150 175.6339 43 N 3.8953 9.7551 126.0909 54.8034 37.1352 174.3307 44 G 3.9458 8.1741 101.9162 45.7949 0.0000 172.5029 45 R 4.7177 7.7358 119.7351 54.3391 33.2829 174.4921 46 R 5.0772 8.4429 123.9184 55.2432 32.3175 175.4828 47 G 4.1374 8.6997 108.1881 46.4061 0.0000 172.1937 48 M 5.2095 8.8180 120.3671 54.5623 34.3120 175.7435 49 F 4.3842 7.8586 113.0045 55.4880 41.8624 171.6766 50 P 3.1199 0.0000 0.0000 61.5972 31.9678 177.0324 51 D 4.2468 8.4647 121.2286 57.2240 41.2839 177.9329 52 N 4.4470 8.1288 115.0590 55.3185 38.7300 175.0866 53 F 4.9076 8.3740 115.5782 57.4199 40.4657 175.3424 54 V 5.1754 7.8998 111.2979 59.7004 36.2393 174.6902 55 K 4.7145 9.2257 122.1002 54.6899 35.7360 174.8894 56 E 2.9297 8.5302 128.4708 55.9097 30.2844 175.9193 57 I 4.0316 8.1171 128.7671 60.5783 37.8810 176.3427 58 K 4.1172 8.4138 125.8056 56.4898 32.6260 176.0701 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 2 V 7.91 4.16 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 1.13 0.00 0.00 0.96 0.00 0.00 3 D 8.65 5.33 0.00 2.73 2.59 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 0.00 0.00 0.00 0.00 4 Y 9.37 4.84 0.00 2.83 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 5 I 8.69 4.74 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.68 0.95 0.00 0.00 6 V 8.64 4.23 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 1.03 0.00 0.00 0.88 0.00 0.00 7 E 9.39 4.35 0.00 1.86 1.57 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 2.22 2.32 0.00 8 Y 7.83 4.81 0.00 2.73 2.78 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 9 D 9.20 4.80 0.00 2.69 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 10 Y 9.05 4.73 0.00 2.43 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.44 5.05 0.00 2.30 2.37 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 12 A 8.48 4.28 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 13 V 9.09 4.00 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 0.69 0.00 0.00 0.95 0.00 0.00 14 H 7.90 5.00 0.00 3.42 3.12 0.00 5.67 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.70 4.45 0.00 2.69 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 16 D 8.15 4.64 0.00 2.88 2.92 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 17 E 8.10 5.32 0.00 2.17 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.41 0.00 18 L 9.17 4.69 0.00 1.56 1.61 0.80 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.51 4.70 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 1.28 0.00 0.00 20 I 9.05 4.89 1.76 0.00 0.00 0.68 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 0.90 0.73 0.00 0.00 21 R 8.87 5.17 0.00 1.83 1.80 0.00 3.34 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 22 V 8.38 3.59 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 0.67 0.00 0.00 0.96 0.00 0.00 23 G 8.93 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.19 4.18 0.00 2.02 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 2.31 2.35 0.00 25 I 8.21 4.69 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 1.35 0.53 0.93 0.00 0.00 26 I 9.22 4.47 1.85 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.54 0.90 0.00 0.00 27 R 9.02 4.94 0.00 1.88 2.06 0.00 3.21 0.00 0.00 3.20 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.42 0.00 28 N 8.64 4.14 0.00 2.88 2.91 0.00 0.00 7.00 7.71 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 29 V 8.20 4.26 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 1.15 0.00 0.00 30 K 9.35 4.77 0.00 1.66 1.65 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.40 7.81 31 K 8.64 4.46 0.00 1.64 1.72 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.50 7.81 32 L 7.79 4.59 0.00 1.77 1.66 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.73 4.04 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 34 E 8.16 3.82 0.00 1.87 1.91 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 2.16 2.18 0.00 35 E 8.71 4.02 0.00 1.99 1.89 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 2.31 2.27 0.00 36 G 9.16 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 W 7.82 4.81 0.00 3.19 3.06 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 0.00 0.00 0.00 0.00 38 L 8.36 4.69 0.00 0.27 0.78 0.28 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.30 5.00 0.00 1.97 1.69 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 2.20 2.26 0.00 40 G 8.85 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 0.00 0.00 0.00 0.00 41 E 9.17 5.32 0.00 2.04 2.01 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 2.21 2.23 0.00 42 L 8.97 4.72 0.00 1.63 1.39 0.93 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 43 N 9.76 3.90 0.00 2.82 2.78 0.00 0.00 7.22 7.98 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 44 G 8.17 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 45 R 7.74 4.72 0.00 1.90 1.87 0.00 3.10 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 46 R 8.44 5.08 0.00 1.76 1.87 0.00 3.32 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 47 G 8.70 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 M 8.82 5.21 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 49 F 7.86 4.38 0.00 2.58 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 50 P 0.00 3.12 0.00 1.97 0.86 0.00 2.28 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.44 0.00 51 D 8.46 4.25 0.00 2.51 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.13 4.45 0.00 2.74 2.73 0.00 0.00 6.80 7.45 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 53 F 8.37 4.91 0.00 2.94 3.35 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 54 V 7.90 5.18 2.37 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 0.69 0.00 0.00 1.14 0.00 0.00 55 K 9.23 4.71 0.00 1.82 1.62 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.34 7.81 56 E 8.53 2.93 0.00 1.41 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.68 0.00 57 I 8.12 4.03 1.91 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 1.18 0.59 0.87 0.00 0.00 58 K 8.41 4.12 0.00 1.65 1.61 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.25 1.30 7.81