NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8969 8.3544 109.7347 45.4941 0.0000 172.8051 2 S 4.5899 8.3511 119.8649 54.1300 64.6181 171.9517 3 S 4.1225 8.9602 122.3806 62.2057 62.6938 174.5205 4 G 4.2596 7.6885 113.8058 45.2316 0.0000 174.0509 5 S 4.2097 7.5723 116.8547 57.4998 63.9196 174.2130 6 S 4.5923 8.4486 117.4330 57.4749 62.8036 173.0087 7 G 3.8757 8.1282 120.8239 44.9934 0.0000 171.3175 8 N 5.0231 8.8718 120.6821 51.3050 39.5471 173.5056 9 M 4.8372 8.3648 122.5622 53.4899 35.1592 175.1980 10 F 4.9343 8.8791 121.4104 56.4141 43.9742 174.5889 11 V 4.4848 8.8289 123.4103 61.8079 33.0533 175.7622 12 A 4.2829 8.5698 123.0278 52.6177 20.9651 178.8831 13 L 4.0167 7.8526 111.3795 55.5112 39.7857 173.8449 14 H 4.7183 7.4697 111.3915 55.5630 33.9620 173.7301 15 T 4.8271 8.8145 118.6012 62.6250 69.2170 173.2248 16 Y 4.5124 8.8528 129.3008 55.8568 40.7849 175.0530 17 S 4.5941 8.3356 123.9727 56.9639 62.8907 173.6098 18 A 3.9095 8.3510 126.8509 52.9126 18.5697 177.0068 19 H 4.7847 9.5405 119.4526 55.8846 30.5979 175.1808 20 R 4.7236 7.7284 117.0186 53.2930 32.9324 174.4618 21 P 4.6070 0.0000 0.0000 63.9280 31.4093 176.3741 22 E 4.5461 7.7826 117.0278 57.0324 32.2385 176.1728 23 E 4.5630 7.8142 119.0767 56.1168 30.4568 176.0164 24 L 4.8022 8.3441 123.2946 53.4209 44.5326 175.6000 25 D 5.5663 8.7196 125.6836 53.5423 41.2530 175.8510 26 L 5.3564 8.6765 123.8653 53.3398 44.0218 175.9800 27 Q 4.6855 8.4538 120.1154 53.6255 32.3988 173.4716 28 K 3.7948 8.1931 125.8771 59.5289 32.7521 176.6764 29 G 4.0537 9.2271 118.7842 45.6780 0.0000 171.5233 30 E 4.6812 8.0534 116.9596 53.8518 33.0404 175.1773 31 G 4.1722 8.6834 110.6577 45.9346 0.0000 172.3665 32 I 5.0191 8.9525 126.4639 59.4224 41.1411 174.9009 33 R 4.7004 8.6059 125.9644 54.4128 31.8333 175.1540 34 V 3.9285 8.6534 127.6228 63.5727 31.4335 174.6030 35 L 4.3766 9.3713 129.5662 55.1908 41.9434 177.9991 36 G 4.0662 7.7018 104.0389 44.5361 0.0000 171.2625 37 K 4.6862 8.2522 120.2015 54.3378 33.1548 174.9831 38 Y 4.0954 8.7251 127.9194 58.6476 39.1680 175.9883 39 Q 4.3700 8.4924 115.1921 55.5178 31.6864 171.9347 40 D 4.6034 8.7448 117.8641 59.0372 40.1195 176.1858 41 G 3.9785 8.8995 113.4046 44.6857 0.0000 171.9643 42 W 5.3309 8.7683 119.9703 54.9030 32.9082 174.6497 43 L 5.1127 8.9983 123.0855 52.8070 46.4037 175.0058 44 K 4.4658 8.6682 122.0900 54.6476 34.1323 175.2899 45 G 4.7083 8.4356 113.2837 45.1259 0.0000 170.7658 46 L 5.0970 8.9895 122.8851 52.8015 44.2724 175.2755 47 S 4.4496 9.0781 122.5462 58.7541 62.7790 174.6529 48 L 3.9280 9.2251 128.5547 56.7490 41.2378 178.1225 49 L 4.2611 8.0589 120.9603 57.1996 42.9986 177.5628 50 T 3.9567 7.7350 110.0040 63.8951 69.2967 175.9290 51 G 4.0407 8.4263 109.0142 44.9034 0.0000 172.8377 52 R 4.7335 7.9302 117.4290 54.4958 33.0500 175.2106 53 T 4.9980 8.3635 118.2603 62.1363 70.9499 173.6565 54 G 4.1816 8.5429 112.8403 45.6485 0.0000 170.7072 55 I 4.5313 8.1289 114.6344 59.1356 38.6344 175.4044 56 F 5.2015 7.8485 122.1208 53.6959 41.6724 172.8134 57 P 3.9870 0.0000 0.0000 62.1250 31.8796 177.6300 58 S 4.1709 8.5356 117.7083 61.3877 63.0315 176.4007 59 D 4.4431 7.9595 119.7169 57.0959 40.7117 176.9605 60 Y 4.1566 8.1751 115.9798 59.2980 38.3098 175.7251 61 V 5.3233 7.4973 112.8362 58.7038 33.7286 175.2151 62 I 4.6986 8.3437 125.0232 58.2298 40.4675 173.0429 63 P 3.4918 0.0000 0.0000 62.6515 31.3906 176.5254 64 V 4.0129 7.0472 118.3975 60.9463 32.5743 175.5404 65 S 4.5897 8.2625 115.4495 56.4752 65.9451 173.3339 66 G 3.8807 7.6813 106.5820 45.4445 0.0000 171.5013 67 P 4.5005 0.0000 0.0000 63.7966 31.5980 177.2969 68 S 4.2324 7.6379 115.4864 61.9133 62.8144 175.5937 69 S 4.3309 7.8186 112.2915 57.7978 63.5291 174.2272 70 G 3.7225 8.4468 109.0343 45.9840 0.0000 173.6807 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 3.90 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 0.00 0.00 0.00 2 S 8.35 4.59 0.00 3.89 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 3 S 8.96 4.12 0.00 4.01 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 4 G 7.69 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 0.00 0.00 0.00 0.00 5 S 7.57 4.21 0.00 3.88 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 6 S 8.45 4.59 0.00 3.83 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 8.13 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 8 N 8.87 5.02 0.00 3.21 3.00 0.00 0.00 5.95 7.78 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 9 M 8.36 4.84 0.00 1.85 1.87 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 2.56 2.49 0.00 10 F 8.88 4.93 0.00 2.99 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 11 V 8.83 4.48 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 1.21 0.00 0.00 0.89 0.00 0.00 12 A 8.57 4.28 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 13 L 7.85 4.02 0.00 1.59 1.60 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 14 H 7.47 4.72 0.00 2.94 3.23 0.00 5.59 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.81 4.83 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 1.30 0.00 0.00 16 Y 8.85 4.51 0.00 3.15 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 S 8.34 4.59 0.00 3.63 3.74 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 18 A 8.35 3.91 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 19 H 9.54 4.78 0.00 3.23 3.29 0.00 5.60 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.73 4.72 0.00 1.83 1.74 0.00 3.19 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 21 P 0.00 4.61 0.00 2.15 2.15 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 22 E 7.78 4.55 0.00 1.86 2.10 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 2.11 2.07 0.00 23 E 7.81 4.56 0.00 2.03 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 0.00 2.26 2.16 0.00 24 L 8.34 4.80 0.00 1.64 1.79 1.33 1.31 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 25 D 8.72 5.57 0.00 2.64 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 26 L 8.68 5.36 0.00 1.93 1.64 0.87 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.45 4.69 0.00 2.27 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 28 K 8.19 3.79 0.00 1.91 1.81 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.52 7.81 29 G 9.23 4.05 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 0.00 0.00 0.00 30 E 8.05 4.68 0.00 1.95 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 0.00 2.29 2.19 0.00 31 G 8.68 4.17 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 32 I 8.95 5.02 1.87 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 1.02 0.84 0.90 0.00 0.00 33 R 8.61 4.70 0.00 1.93 1.87 0.00 3.14 0.00 0.00 3.14 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 34 V 8.65 3.93 1.90 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 0.71 0.00 0.00 0.67 0.00 0.00 35 L 9.37 4.38 0.00 1.52 1.62 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.70 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.25 4.69 0.00 1.66 1.69 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.37 7.81 38 Y 8.73 4.10 0.00 2.84 3.12 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 39 Q 8.49 4.37 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 40 D 8.74 4.60 0.00 2.72 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 41 G 8.90 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.77 5.33 0.00 3.38 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 43 L 9.00 5.11 0.00 1.21 1.32 0.83 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.67 4.47 0.00 1.67 1.59 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.25 7.81 45 G 8.44 4.71 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 0.00 0.00 0.00 46 L 8.99 5.10 0.00 1.68 1.59 0.98 1.06 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 47 S 9.08 4.45 0.00 3.98 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.23 3.93 0.00 1.64 1.73 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.06 4.26 0.00 1.60 1.60 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.74 3.96 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 1.26 0.00 0.00 51 G 8.43 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 52 R 7.93 4.73 0.00 1.78 1.86 0.00 3.26 0.00 0.00 3.35 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 53 T 8.36 5.00 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 1.23 0.00 0.00 54 G 8.54 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 0.00 0.00 0.00 55 I 8.13 4.53 1.42 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.36 0.21 0.00 0.00 56 F 7.85 5.20 0.00 2.90 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 57 P 0.00 3.99 0.00 1.84 0.99 0.00 3.31 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.68 0.00 58 S 8.54 4.17 0.00 4.01 4.12 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 59 D 7.96 4.44 0.00 2.70 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.18 4.16 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.50 5.32 2.26 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 0.27 0.00 0.00 1.17 0.00 0.00 62 I 8.34 4.70 1.89 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 1.40 0.91 0.88 0.00 0.00 63 P 0.00 3.49 0.00 2.09 2.32 0.00 3.89 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 64 V 7.05 4.01 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 0.48 0.00 0.00 0.69 0.00 0.00 65 S 8.26 4.59 0.00 3.86 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 66 G 7.68 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 67 P 0.00 4.50 0.00 2.18 2.17 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 68 S 7.64 4.23 0.00 3.90 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 69 S 7.82 4.33 0.00 3.97 3.87 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 70 G 8.45 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 0.00 0.00 0.00