NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5908 8.3193 116.7990 58.6504 64.3844 173.9642 2 T 4.1959 8.6708 115.5345 60.4061 71.0986 174.6255 3 I 3.7840 8.4099 122.0459 64.5025 37.5131 179.2502 4 E 3.9280 8.2274 119.5271 59.5824 29.3697 178.6603 5 E 4.0282 8.2953 118.3164 59.5427 29.5177 179.6720 6 R 3.9988 8.3942 118.3087 59.1299 30.1169 179.2375 7 V 3.8516 8.4139 118.5199 66.1609 31.5312 178.2626 8 K 4.0269 8.2753 118.2126 59.2403 31.7592 179.2944 9 K 3.9468 8.3976 120.1224 59.5147 32.0771 178.8446 10 I 3.6779 7.9312 120.0804 64.4869 36.9767 178.3969 11 I 3.6705 8.0196 120.6693 64.3720 36.9869 178.7448 12 G 3.6034 8.2481 106.5191 47.8131 0.0000 175.6376 13 E 3.9759 8.4234 121.2369 59.2366 29.2919 179.5087 14 Q 4.0482 8.1072 117.1278 58.8231 28.9459 178.2504 15 L 4.2754 8.0178 117.3472 54.2662 42.1849 176.8710 16 G 3.8553 7.5871 105.4295 46.9959 0.0000 173.9927 17 V 4.5187 7.5335 111.3666 58.4250 34.9520 176.4414 18 K 4.2272 8.2638 121.3252 56.4980 33.6079 177.7706 19 Q 3.9492 8.7495 121.5966 59.3052 29.1451 178.2351 20 E 3.9801 8.2504 117.1805 59.0714 29.6505 177.4290 21 E 4.1534 8.0333 116.9778 58.0967 30.3153 177.5631 22 V 4.0444 7.4044 121.3663 61.6129 30.1938 175.2994 23 T 4.3774 7.3066 113.4588 60.6332 70.7524 176.4448 24 N 4.3436 8.7179 119.8674 56.3848 38.6902 176.4235 25 N 4.7201 7.9972 112.2110 52.8622 39.2308 174.9451 26 A 4.2310 7.8965 123.4941 51.9706 19.2499 177.0618 27 S 4.6549 9.0647 117.5986 57.2444 63.5727 174.7944 28 F 4.4687 8.3964 127.3961 61.0738 38.9300 178.0573 29 V 3.8220 8.0000 119.3876 65.9917 31.6362 177.8134 30 E 3.9181 8.3638 118.0201 58.2867 29.6654 177.3535 31 D 4.7533 8.2813 117.1798 54.9930 42.4683 177.1002 32 L 4.4567 8.0131 115.5592 54.0375 42.0038 177.0413 33 G 3.8764 7.8480 105.9340 45.7019 0.0000 174.2659 34 A 4.2592 8.1053 122.6255 51.8733 19.1876 178.1972 35 D 4.8543 9.0084 122.0322 52.0309 42.8006 178.0894 36 S 4.3166 8.2931 115.5304 60.6512 63.0482 176.3937 37 L 3.9828 7.9677 122.5349 57.8414 41.3280 178.8528 38 D 4.3608 8.7814 119.4514 57.5899 40.7840 179.0333 39 T 3.7741 7.8282 109.9056 64.5639 68.7901 176.8914 40 V 3.6490 7.6236 120.6798 65.9617 31.5523 177.9330 41 E 3.9750 8.1982 118.2474 59.1183 29.1485 179.1896 42 L 3.8205 8.1040 120.8252 58.0060 42.1611 179.0838 43 V 3.5106 7.7643 118.1664 66.3607 31.4893 177.8244 44 M 4.0278 8.0569 118.1062 58.4411 31.7247 178.6741 45 A 4.0104 8.1424 120.9625 55.0356 18.5012 179.7090 46 L 4.1371 8.2065 117.7604 57.9727 41.6712 179.4486 47 E 4.2926 8.2442 119.9173 58.9066 28.9525 179.4014 48 E 3.9186 8.1399 118.3806 59.4576 29.3837 179.0125 49 E 3.7925 8.1528 118.0917 58.2130 29.6473 177.2934 50 F 4.6152 7.7493 114.2989 56.1581 40.2038 174.8257 51 D 4.4235 7.6585 118.2132 55.0274 39.6788 172.9183 52 T 4.7235 8.1101 113.0462 60.6936 71.2646 171.7531 53 E 4.6413 8.7639 126.4781 54.9037 30.7500 175.6263 54 I 4.4175 8.7084 125.5359 58.1913 37.7914 174.6781 55 P 4.4145 0.0000 0.0000 62.0203 33.1404 176.6504 56 D 4.3262 8.7657 120.6276 57.8365 40.8327 178.4989 57 E 3.9074 8.1822 117.8320 59.3706 29.8722 178.0231 58 E 4.2758 8.1530 117.4677 58.7179 29.9794 178.4115 59 A 3.9070 8.2557 121.3457 55.2122 18.1785 179.5339 60 E 3.9677 8.3065 116.0455 58.9380 29.6294 178.0331 61 K 4.2448 7.7115 116.0649 56.5443 32.4420 177.3384 62 I 4.1839 7.5176 121.4512 60.3173 35.8227 175.2960 63 T 4.3487 8.0098 113.5567 60.4073 70.5524 173.9336 64 T 4.4431 6.7743 112.0787 58.6979 73.2233 174.5634 65 V 3.7710 8.0866 120.9604 66.5186 31.4797 178.0312 66 Q 3.9347 8.2084 118.8570 59.1817 28.8375 178.0829 67 A 4.0397 8.0213 121.5966 54.9935 18.3857 179.5479 68 A 4.0318 8.0559 119.0659 55.3560 18.5014 179.7952 69 I 3.6124 7.9523 118.4275 64.7499 37.2407 178.3674 70 D 4.3410 8.5034 119.9701 57.4108 40.5121 178.2080 71 Y 3.8434 8.1796 119.9429 60.8326 38.9576 178.3503 72 I 3.7332 7.9126 120.6009 64.4856 36.9274 178.2092 73 N 4.3950 8.3416 116.7806 56.0054 38.4530 176.9804 74 G 3.7285 7.8626 104.5843 45.5626 0.0000 173.1625 75 H 4.8683 7.5427 117.5390 55.0068 29.7409 174.2236 76 Q 4.0410 8.1114 117.9411 55.7688 29.3899 176.9310 77 A 4.2087 8.6610 124.4158 52.5448 18.4151 177.0279 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 S 8.32 4.59 0.00 3.91 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 2 T 8.67 4.20 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 1.23 0.00 0.00 3 I 8.41 3.78 1.93 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 1.61 0.72 0.74 0.00 0.00 4 E 8.23 3.93 0.00 2.04 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 2.40 2.44 0.00 5 E 8.30 4.03 0.00 2.26 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 0.00 2.36 2.38 0.00 6 R 8.39 4.00 0.00 2.18 2.16 0.00 3.18 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 7 V 8.41 3.85 2.24 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 1.09 0.00 0.00 0.74 0.00 0.00 8 K 8.28 4.03 0.00 2.04 1.89 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.68 7.81 9 K 8.40 3.95 0.00 2.01 1.83 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.66 7.81 10 I 7.93 3.68 2.09 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.86 0.92 0.00 0.00 11 I 8.02 3.67 2.05 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.75 0.89 0.00 0.00 12 G 8.25 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.42 3.98 0.00 2.05 1.99 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 2.32 2.45 0.00 14 Q 8.11 4.05 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 15 L 8.02 4.28 0.00 1.65 1.69 0.81 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.59 3.86 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 0.00 0.00 0.00 17 V 7.53 4.52 2.31 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 0.80 0.00 0.00 0.95 0.00 0.00 18 K 8.26 4.23 0.00 1.94 1.94 0.00 1.52 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.43 7.81 19 Q 8.75 3.95 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.88 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 20 E 8.25 3.98 0.00 1.97 1.99 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 2.31 2.30 0.00 21 E 8.03 4.15 0.00 2.20 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 2.35 2.25 0.00 22 V 7.40 4.04 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 0.89 0.00 0.00 0.97 0.00 0.00 23 T 7.31 4.38 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 1.26 0.00 0.00 24 N 8.72 4.34 0.00 2.85 2.91 0.00 0.00 6.81 6.92 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 25 N 8.00 4.72 0.00 2.69 2.82 0.00 0.00 6.86 7.35 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 26 A 7.90 4.23 1.36 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 0.00 0.00 27 S 9.06 4.65 0.00 3.78 3.86 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 28 F 8.40 4.47 0.00 3.11 2.96 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 29 V 8.00 3.82 2.11 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 1.06 0.00 0.00 1.05 0.00 0.00 30 E 8.36 3.92 0.00 1.98 1.99 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 2.34 2.41 0.00 31 D 8.28 4.75 0.00 2.87 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 32 L 8.01 4.46 0.00 1.92 1.74 1.10 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.85 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 0.00 0.00 0.00 34 A 8.11 4.26 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 35 D 9.01 4.85 0.00 2.94 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 36 S 8.29 4.32 0.00 4.08 4.18 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.97 3.98 0.00 1.92 1.75 0.92 1.12 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 38 D 8.78 4.36 0.00 2.80 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 39 T 7.83 3.77 4.32 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 1.35 0.00 0.00 40 V 7.62 3.65 2.19 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 1.00 0.00 0.00 0.93 0.00 0.00 41 E 8.20 3.97 0.00 2.15 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 2.30 2.39 0.00 42 L 8.10 3.82 0.00 1.61 1.70 0.76 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.76 3.51 2.16 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 0.88 0.00 0.00 0.94 0.00 0.00 44 M 8.06 4.03 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.54 0.00 45 A 8.14 4.01 1.36 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 0.00 0.00 46 L 8.21 4.14 0.00 1.90 1.88 0.93 1.00 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 47 E 8.24 4.29 0.00 2.22 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 2.41 2.41 0.00 48 E 8.14 3.92 0.00 2.09 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 2.53 2.43 0.00 49 E 8.15 3.79 0.00 1.68 1.58 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 1.59 1.47 0.00 50 F 7.75 4.62 0.00 3.31 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 51 D 7.66 4.42 0.00 2.79 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 T 8.11 4.72 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 53 E 8.76 4.64 0.00 2.03 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 2.27 2.28 0.00 54 I 8.71 4.42 1.66 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.35 0.28 0.00 0.00 55 P 0.00 4.41 0.00 2.20 2.00 0.00 3.74 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.19 0.00 56 D 8.77 4.33 0.00 2.78 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.18 3.91 0.00 2.02 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 2.32 2.43 0.00 58 E 8.15 4.28 0.00 2.18 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 0.00 2.49 2.48 0.00 59 A 8.26 3.91 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 60 E 8.31 3.97 0.00 1.97 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 0.00 2.50 2.43 0.00 61 K 7.71 4.24 0.00 1.92 1.85 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.56 7.81 62 I 7.52 4.18 2.03 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.71 1.10 0.00 0.00 63 T 8.01 4.35 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 1.20 0.00 0.00 64 T 6.77 4.44 4.15 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 1.04 0.00 0.00 65 V 8.09 3.77 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 1.13 0.00 0.00 1.14 0.00 0.00 66 Q 8.21 3.93 0.00 2.37 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 67 A 8.02 4.04 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 68 A 8.06 4.03 1.58 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 0.00 0.00 69 I 7.95 3.61 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.75 0.89 0.00 0.00 70 D 8.50 4.34 0.00 2.82 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 8.18 3.84 0.00 3.18 3.11 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 72 I 7.91 3.73 1.53 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.57 -0.16 0.00 0.00 73 N 8.34 4.40 0.00 2.72 2.83 0.00 0.00 7.05 7.32 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 74 G 7.86 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 0.00 0.00 0.00 75 H 7.54 4.87 0.00 2.87 3.17 0.00 5.86 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.11 4.04 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 77 A 8.66 4.21 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00