NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4240 8.1627 120.3490 55.3191 34.3999 177.2502 2 D 4.1371 8.0709 118.0152 56.6715 41.1904 176.2275 3 S 4.0957 8.7836 114.4936 61.5398 62.8459 175.2275 4 N 4.3347 8.1565 118.6615 56.6429 38.2624 177.3669 5 T 3.9176 8.0665 117.1870 66.7888 68.5029 176.7355 6 M 4.1324 7.8291 120.5300 58.6010 32.0557 179.0048 7 S 4.5539 8.2546 116.8432 61.2761 62.9770 177.0183 8 S 4.1983 8.5333 118.2693 61.4443 62.5599 176.5252 9 F 4.2538 8.3430 123.4504 61.3844 39.0253 177.2332 10 Q 3.9400 8.3148 117.7304 58.9050 28.4454 178.9861 11 V 3.6930 7.9296 119.1853 66.2340 31.5691 177.8150 12 D 4.3948 8.1255 118.6245 57.4169 40.5488 178.6213 13 C 3.9984 7.9182 117.2240 62.7635 28.1416 175.9717 14 F 4.3161 8.2137 122.1399 61.3850 39.0191 177.0475 15 L 3.8099 8.3602 119.0405 57.4245 41.3560 179.2552 16 W 3.9761 8.6052 128.7000 60.6449 30.6349 177.1198 17 H 4.1184 8.5716 118.2638 59.6059 29.1215 177.0172 18 I 3.4339 7.2503 121.0161 64.4036 36.8541 178.5442 19 R 4.0214 7.6653 118.7899 59.1786 29.8661 179.0328 20 K 3.5045 7.7415 119.5855 59.4537 31.8672 179.1018 21 R 4.0460 7.5575 117.0617 59.0120 30.0802 178.5107 22 F 4.1889 8.4560 120.4488 61.3407 39.3401 177.0867 23 A 3.8918 8.4101 120.5149 55.2397 17.9475 179.1474 24 D 4.2784 8.3670 116.8516 57.5796 40.9746 178.1650 25 N 4.5521 7.6189 114.1287 53.0567 38.6083 175.3955 26 G 3.7337 7.8291 108.7423 46.6427 0.0000 174.6285 27 L 4.0603 7.3317 118.2873 54.0187 42.3988 177.2639 28 G 3.7826 7.4127 108.2638 44.8533 0.0000 173.8789 29 D 4.7500 8.3697 122.4932 51.6231 42.7082 177.5086 30 A 4.0412 8.3935 120.5501 55.0242 18.3249 177.9893 31 P 4.2557 0.0000 0.0000 65.5623 31.4415 178.4938 32 F 4.0713 8.6805 119.5795 61.4615 39.3092 177.2518 33 L 4.1247 8.1637 118.1885 57.4012 41.3188 178.9990 34 D 4.3255 8.2481 118.3381 57.4522 41.2467 178.4733 35 R 3.8932 7.9901 118.5878 58.9548 30.1205 178.7065 36 L 3.8529 7.7998 120.1288 58.2158 41.7438 179.1237 37 R 4.0260 8.1317 118.4509 59.5243 30.0622 178.6794 38 R 3.9992 8.3804 118.2317 59.5299 30.0453 178.8617 39 D 4.4275 8.7480 118.9667 57.2000 40.7545 178.7108 40 Q 3.2603 8.0860 119.7961 58.9417 29.0467 178.4850 41 K 3.9437 7.6414 118.2260 59.4468 31.9704 179.3308 42 S 4.0989 8.0729 113.4840 61.3674 62.2841 176.2463 43 L 4.1620 8.2371 122.1247 57.6021 41.3818 179.6060 44 K 4.0556 8.1506 118.6824 59.3906 32.0085 179.6419 45 G 3.5564 8.0544 105.9247 47.8651 0.0000 175.9807 46 R 3.9236 8.3349 121.2021 58.8429 30.0109 179.4165 47 G 3.1678 8.3496 105.9175 47.4841 0.0000 175.3277 48 N 4.2440 7.9659 119.1113 56.7120 38.7867 177.1081 49 T 3.8089 7.4797 115.8895 66.6816 68.7060 176.2167 50 L 4.1470 7.6682 118.2673 54.7069 41.8445 177.3251 51 G 3.8236 7.5279 106.1392 46.5398 0.0000 173.2639 52 L 4.6995 7.8267 119.4205 52.2107 44.0578 176.7234 53 D 4.5986 8.5607 122.5828 53.7777 42.8528 177.0244 54 I 3.7073 8.4573 127.7148 64.4355 37.0597 177.9891 55 E 3.9380 8.1631 119.5608 59.7353 29.4723 179.1400 56 T 3.8873 8.0823 114.7911 66.6621 68.6261 176.3913 57 A 4.0582 8.2920 122.8527 55.4971 18.3122 179.8150 58 T 3.9055 8.2541 114.5403 66.9107 68.0433 176.9255 59 L 3.9787 7.6906 120.8421 57.6303 41.5963 179.7999 60 V 3.6687 7.9536 118.5625 65.8320 31.4134 178.3073 61 G 3.6777 8.4905 105.9950 47.5273 0.0000 175.5401 62 K 2.0000 7.5629 121.7171 58.8815 32.1327 178.9286 63 Q 3.9140 7.4626 117.4193 58.8868 28.5289 178.9088 64 I 3.7429 7.7608 120.7276 64.4160 37.1276 178.5935 65 V 3.6818 8.0532 119.3219 66.2239 31.2302 177.7964 66 E 3.9762 8.3608 118.4151 59.2840 29.0547 179.2590 67 W 4.1508 8.2404 127.4721 60.3427 30.8127 177.9342 68 I 3.6738 7.9267 119.2759 64.2291 36.7585 177.8755 69 L 4.2416 7.9830 117.2333 55.5681 41.7503 177.7095 70 K 4.2361 7.4483 124.1351 57.2027 32.7919 176.4816 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 M 8.16 4.42 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.60 0.00 2 D 8.07 4.14 0.00 2.82 2.63 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 3 S 8.78 4.10 0.00 3.91 3.83 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 0.00 0.00 0.00 0.00 4 N 8.16 4.33 0.00 3.01 2.87 0.00 0.00 7.12 7.05 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 5 T 8.07 3.92 4.40 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 1.20 0.00 0.00 6 M 7.83 4.13 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.58 0.00 7 S 8.25 4.55 0.00 4.00 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 8 S 8.53 4.20 0.00 4.07 3.97 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 0.00 0.00 0.00 9 F 8.34 4.25 0.00 3.19 3.26 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 10 Q 8.31 3.94 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 11 V 7.93 3.69 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 1.20 0.00 0.00 1.01 0.00 0.00 12 D 8.13 4.39 0.00 2.84 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 13 C 7.92 4.00 0.00 2.92 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 14 F 8.21 4.32 0.00 3.30 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 15 L 8.36 3.81 0.00 1.72 1.68 0.96 0.79 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 W 8.61 3.98 0.00 3.40 3.27 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 17 H 8.57 4.12 0.00 3.43 3.39 0.00 5.84 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 18 I 7.25 3.43 1.74 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 -0.22 0.79 0.00 0.00 19 R 7.67 4.02 0.00 1.62 1.68 0.00 2.49 0.00 0.00 2.83 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 20 K 7.74 3.50 0.00 0.79 1.51 0.00 1.35 0.00 0.00 1.30 0.00 0.00 3.10 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.34 1.39 7.81 21 R 7.56 4.05 0.00 1.86 1.92 0.00 3.51 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 22 F 8.46 4.19 0.00 3.00 3.25 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 23 A 8.41 3.89 1.52 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 0.00 0.00 24 D 8.37 4.28 0.00 2.77 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 N 7.62 4.55 0.00 2.60 2.67 0.00 0.00 7.05 8.20 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 26 G 7.83 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 27 L 7.33 4.06 0.00 0.27 0.77 0.52 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.41 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 0.00 0.00 0.00 29 D 8.37 4.75 0.00 2.91 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 30 A 8.39 4.04 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 P 0.00 4.26 0.00 2.24 2.15 0.00 4.06 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 32 F 8.68 4.07 0.00 3.29 3.28 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 33 L 8.16 4.12 0.00 1.97 1.76 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.25 4.33 0.00 2.97 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 35 R 7.99 3.89 0.00 1.86 1.83 0.00 3.14 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 36 L 7.80 3.85 0.00 1.61 1.82 -0.03 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.13 4.03 0.00 2.07 2.09 0.00 3.18 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 38 R 8.38 4.00 0.00 1.96 1.97 0.00 3.19 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 39 D 8.75 4.43 0.00 2.92 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 40 Q 8.09 3.26 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.10 1.62 0.00 41 K 7.64 3.94 0.00 2.01 1.83 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.62 7.81 42 S 8.07 4.10 0.00 3.91 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 43 L 8.24 4.16 0.00 1.63 1.64 0.66 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.15 4.06 0.00 1.95 1.82 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.43 7.81 45 G 8.05 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.33 3.92 0.00 2.09 1.84 0.00 3.19 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 47 G 8.35 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 0.00 0.00 0.00 48 N 7.97 4.24 0.00 2.88 2.89 0.00 0.00 7.20 7.02 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 49 T 7.48 3.81 4.26 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 1.14 0.00 0.00 50 L 7.67 4.15 0.00 1.25 1.53 0.55 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.53 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 52 L 7.83 4.70 0.00 1.45 1.72 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.56 4.60 0.00 2.81 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 54 I 8.46 3.71 1.87 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 1.60 0.73 0.81 0.00 0.00 55 E 8.16 3.94 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 56 T 8.08 3.89 4.40 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 1.23 0.00 0.00 57 A 8.29 4.06 1.35 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 58 T 8.25 3.91 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 59 L 7.69 3.98 0.00 1.79 1.68 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.95 3.67 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 1.05 0.00 0.00 0.98 0.00 0.00 61 G 8.49 3.68 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 0.00 0.00 0.00 62 K 7.56 2.00 0.00 1.15 1.64 0.00 1.58 0.00 0.00 1.52 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.21 0.89 7.81 63 Q 7.46 3.91 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 64 I 7.76 3.74 2.01 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 0.75 1.00 0.00 0.00 65 V 8.05 3.68 2.18 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 1.34 0.00 0.00 1.19 0.00 0.00 66 E 8.36 3.98 0.00 2.24 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 2.41 0.00 67 W 8.24 4.15 0.00 3.31 3.43 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 0.00 0.00 0.00 0.00 68 I 7.93 3.67 2.10 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.07 0.93 0.00 0.00 69 L 7.98 4.24 0.00 1.62 1.71 0.97 1.24 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 70 K 7.45 4.24 0.00 1.83 1.91 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.56 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.39 1.24 7.81