NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9333 8.3549 109.7379 45.3277 0.0000 176.4056 2 S 4.5449 9.2325 116.1523 56.1425 64.8190 171.6453 3 H 4.6552 8.8432 123.4284 55.7357 30.9263 173.2134 4 M 3.9268 7.9253 117.6284 56.7716 31.5464 176.1801 5 S 4.5214 8.1895 124.3177 57.4243 61.9302 174.0735 6 T 4.0149 8.1166 115.3363 62.8925 69.3592 174.9817 7 N 4.7850 7.9078 119.0386 50.8311 39.1239 171.9522 8 P 4.2560 0.0000 0.0000 62.7177 32.2804 176.0645 9 F 4.7601 7.3950 117.5619 55.7741 39.1374 174.9104 10 D 4.4437 8.7005 125.2536 56.5213 41.4522 175.9298 11 D 4.5647 7.4558 114.9537 52.8804 44.0068 173.6691 12 D 4.4684 8.5590 125.3934 53.7823 41.2827 174.4615 13 N 4.6346 8.4177 125.3542 54.3197 41.0579 175.9367 14 G 4.0068 7.1919 109.9467 44.7288 0.0000 172.5510 15 A 3.7278 8.2965 127.0552 51.9507 20.0720 175.9768 16 F 5.4183 7.4920 112.0191 55.9712 41.3091 173.3365 17 F 5.1824 9.8515 119.4053 55.8125 43.1828 175.0054 18 V 4.6282 8.8832 121.9933 62.1228 31.8057 173.8517 19 L 5.2691 9.0962 130.5158 53.0821 44.7489 175.0596 20 V 4.7283 9.0098 125.9208 61.1557 34.8713 174.4281 21 N 5.2429 8.5943 124.4945 50.9674 39.9895 175.2004 22 D 4.3011 8.6523 118.1935 56.7591 41.2728 176.5548 23 E 4.4939 8.5985 116.7884 55.8714 29.6752 174.4554 24 D 5.1459 7.9354 119.7800 52.3872 44.1265 174.3664 25 Q 4.5257 8.3611 114.0481 57.2910 30.2713 175.2666 26 H 4.7331 7.9955 110.5587 54.2971 31.6688 173.3331 27 S 4.7370 8.5503 117.6386 56.9197 67.8682 172.9548 28 L 5.0141 8.6437 123.3181 53.3318 42.8845 175.6693 29 W 4.9979 9.5594 135.0000 54.8977 32.5553 173.4053 30 P 4.6795 0.0000 0.0000 62.6032 31.9095 176.8738 31 V 4.0955 8.6740 126.2240 61.6154 28.4444 173.6109 32 F 4.6676 7.9450 123.6853 58.1047 46.3459 173.9482 33 A 4.5224 7.3551 122.7012 50.5210 20.2739 175.7472 34 D 4.8003 8.3770 118.8989 52.2121 40.9451 176.2530 35 I 3.9061 8.0204 123.0301 59.7200 39.5154 171.9783 36 P 4.3920 0.0000 0.0000 63.3441 29.5546 178.2831 37 A 4.7612 9.0494 112.9144 51.7743 22.7254 176.7381 38 G 3.7316 8.5356 105.6656 46.3347 0.0000 173.6412 39 W 5.1978 7.1310 115.7358 54.4557 30.9335 174.6474 40 R 4.7500 8.9136 117.8421 55.3109 33.2793 173.6517 41 V 4.5820 8.9352 127.0147 62.5615 31.6530 175.4517 42 V 4.2327 8.8425 128.6753 64.9258 32.6572 175.3908 43 H 4.5584 7.9676 117.1745 55.5015 33.0059 174.3871 44 G 2.3471 7.7736 113.6940 43.8114 0.0000 173.1791 45 E 4.6403 7.6992 117.8630 55.4261 28.4938 175.4524 46 A 4.7543 7.8270 126.1860 49.5273 22.8153 175.7199 47 S 4.0852 8.3078 113.4466 57.8226 63.8138 175.6426 48 R 3.1597 9.1208 126.6872 59.5220 29.7585 178.4219 49 A 3.9004 7.9767 119.5371 55.0387 18.2789 179.3209 50 A 3.9829 7.7831 118.9079 55.3466 18.5963 179.5531 51 C 4.1940 8.3338 115.4501 62.8928 28.2002 176.2748 52 L 3.9356 8.1139 120.9074 57.7216 41.2173 178.8678 53 D 4.3221 8.2165 117.9916 57.6030 41.1570 177.5413 54 Y 4.1297 8.3551 120.1278 61.1194 38.8180 178.7679 55 V 3.5129 8.0840 113.1570 64.4168 31.6280 178.5199 56 E 4.0771 8.4610 118.4962 58.9614 29.1899 179.3906 57 K 3.8980 8.5893 119.0278 59.7677 31.9677 179.1763 58 N 4.5526 7.7637 116.4087 55.4332 38.4336 177.0966 59 W 4.3340 7.9881 129.2036 60.1577 30.7641 177.9196 60 T 4.2104 7.6030 115.0616 64.2725 68.6701 174.4120 61 D 4.7410 8.4099 123.1466 52.2284 42.8040 175.4934 62 L 4.7018 8.1755 128.7287 53.8350 39.5802 176.4318 63 R 4.4631 7.3822 117.4929 53.7070 32.1882 173.0033 64 P 4.4470 0.0000 0.0000 62.5061 32.2634 178.1268 65 K 4.1111 8.3931 122.0157 55.8591 30.2681 172.3568 66 S 3.6634 8.0428 118.8307 57.7337 60.6936 170.7174 67 L 4.3729 8.3844 127.1560 56.1239 41.2820 176.8895 68 R 4.3773 7.7256 119.2318 55.7944 31.7903 174.3453 69 D 4.3357 8.6609 121.9124 54.9624 38.5328 172.6304 70 A 4.7336 7.8228 120.4581 51.2344 21.4854 176.4097 71 M 4.7093 7.7735 111.3065 53.6032 34.1448 175.1305 72 V 4.0566 8.2277 121.7220 61.4713 31.1295 175.7443 73 E 4.3487 8.3586 127.1072 54.8976 28.0542 176.4813 74 D 4.1946 7.8758 125.8158 55.4438 41.2140 174.7368 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 3.93 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 2 S 9.23 4.54 0.00 3.93 3.78 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 3 H 8.84 4.66 0.00 3.04 3.29 0.00 5.93 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 M 7.93 3.93 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.62 0.00 5 S 8.19 4.52 0.00 3.81 3.72 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 6 T 8.12 4.01 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 7 N 7.91 4.78 0.00 2.65 2.78 0.00 0.00 6.89 8.03 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 8 P 0.00 4.26 0.00 1.32 1.87 0.00 3.15 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.80 0.00 9 F 7.40 4.76 0.00 3.04 2.93 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 10 D 8.70 4.44 0.00 2.62 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 0.00 0.00 0.00 0.00 11 D 7.46 4.56 0.00 2.60 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 0.00 0.00 0.00 12 D 8.56 4.47 0.00 2.57 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 13 N 8.42 4.63 0.00 2.41 2.41 0.00 0.00 6.76 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.19 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 15 A 8.30 3.73 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 0.00 0.00 0.00 0.00 0.00 16 F 7.49 5.42 0.00 3.13 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 17 F 9.85 5.18 0.00 2.99 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 18 V 8.88 4.63 2.43 0.00 0.00 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 0.00 0.00 1.09 0.00 0.00 19 L 9.10 5.27 0.00 1.94 1.60 0.94 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 20 V 9.01 4.73 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 1.03 0.00 0.00 1.04 0.00 0.00 21 N 8.59 5.24 0.00 3.06 2.96 0.00 0.00 5.85 8.05 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 22 D 8.65 4.30 0.00 2.66 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.60 4.49 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 2.27 2.37 0.00 24 D 7.94 5.15 0.00 2.58 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 25 Q 8.36 4.53 0.00 2.12 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.04 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 26 H 8.00 4.73 0.00 3.13 3.27 0.00 5.53 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.55 4.74 0.00 4.20 3.94 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 0.00 0.00 0.00 0.00 28 L 8.64 5.01 0.00 1.34 1.50 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 29 W 9.56 5.00 0.00 3.42 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 30 P 0.00 4.68 0.00 1.93 1.92 0.00 2.75 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 31 V 8.67 4.10 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 0.60 0.00 0.00 0.99 0.00 0.00 32 F 7.94 4.67 0.00 2.86 2.87 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 0.00 0.00 0.00 33 A 7.36 4.52 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 0.00 0.00 0.00 0.00 0.00 34 D 8.38 4.80 0.00 2.79 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 0.00 0.00 0.00 0.00 35 I 8.02 3.91 1.27 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.45 -0.44 0.00 0.00 36 P 0.00 4.39 0.00 2.19 1.61 0.00 3.34 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.78 0.00 37 A 9.05 4.76 1.25 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 38 G 8.54 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 39 W 7.13 5.20 0.00 3.45 2.99 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 0.00 0.00 0.00 40 R 8.91 4.75 0.00 1.98 2.04 0.00 3.23 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 41 V 8.94 4.58 2.36 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 1.03 0.00 0.00 1.26 0.00 0.00 42 V 8.84 4.23 2.28 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 0.99 0.00 0.00 1.08 0.00 0.00 43 H 7.97 4.56 0.00 3.15 3.06 0.00 5.91 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.77 2.35 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 0.00 0.00 0.00 45 E 7.70 4.64 0.00 1.84 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.34 0.00 46 A 7.83 4.75 1.24 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 0.00 0.00 0.00 47 S 8.31 4.09 0.00 3.93 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 48 R 9.12 3.16 0.00 1.37 1.78 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.43 0.00 49 A 7.98 3.90 1.31 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 0.00 0.00 0.00 50 A 7.78 3.98 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 51 C 8.33 4.19 0.00 3.03 3.05 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 0.00 0.00 0.00 0.00 52 L 8.11 3.94 0.00 1.67 1.67 0.83 0.87 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 53 D 8.22 4.32 0.00 2.91 2.90 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 54 Y 8.36 4.13 0.00 3.10 3.15 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 0.00 55 V 8.08 3.51 2.15 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 1.06 0.00 0.00 1.05 0.00 0.00 56 E 8.46 4.08 0.00 2.15 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 2.53 2.47 0.00 57 K 8.59 3.90 0.00 1.83 1.81 0.00 2.09 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.71 7.81 58 N 7.76 4.55 0.00 2.64 2.76 0.00 0.00 6.70 6.89 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 59 W 7.99 4.33 0.00 3.16 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.60 4.21 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 1.18 0.00 0.00 61 D 8.41 4.74 0.00 2.60 2.57 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 0.00 0.00 0.00 62 L 8.18 4.70 0.00 1.62 1.58 0.93 0.73 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 63 R 7.38 4.46 0.00 1.91 1.82 0.00 3.19 0.00 0.00 3.65 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 64 P 0.00 4.45 0.00 2.25 2.10 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 65 K 8.39 4.11 0.00 1.89 1.89 0.00 2.00 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.59 1.73 7.81 66 S 8.04 3.66 0.00 4.02 3.94 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 0.00 0.00 0.00 0.00 67 L 8.38 4.37 0.00 1.82 1.83 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.73 4.38 0.00 1.80 1.87 0.00 3.39 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 69 D 8.66 4.34 0.00 2.83 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 0.00 0.00 0.00 0.00 70 A 7.82 4.73 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.77 4.71 0.00 2.11 2.02 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 2.48 2.55 0.00 72 V 8.23 4.06 2.09 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 0.82 0.00 0.00 0.94 0.00 0.00 73 E 8.36 4.35 0.00 2.13 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 2.28 2.30 0.00 74 D 7.88 4.19 0.00 2.59 2.51 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 0.00