NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4068 8.1233 122.4626 51.7718 20.9008 175.1250 3 K 4.8659 8.3321 117.4226 54.1918 36.0163 173.8819 4 L 5.1192 9.1705 123.5001 53.0938 46.4399 175.2171 5 S 4.8805 8.9649 118.8880 57.3233 63.7588 172.7367 6 C 3.2990 8.6642 127.9493 59.0017 31.6323 174.5196 7 K 3.7550 8.7353 126.7128 58.8473 32.0054 178.0654 8 I 4.2502 7.1758 117.9515 61.1694 37.5443 174.4688 9 C 4.6360 7.3436 114.6087 57.2342 31.9598 174.1929 10 G 3.7758 8.6058 107.2044 46.6461 0.0000 173.3840 11 Y 4.4163 7.6062 122.2024 57.7484 40.2217 174.6992 12 I 4.8294 7.2224 124.8359 59.5312 40.5955 174.2226 13 Y 4.2326 9.2272 129.7451 56.8793 39.8810 173.4213 14 D 4.9057 7.8493 127.2432 52.4002 42.6671 176.4843 15 E 3.9321 8.9028 126.6579 59.7397 30.1098 179.2604 16 D 4.3810 8.5704 117.9086 56.1247 41.1916 177.0507 17 E 4.1327 8.0775 118.4310 55.9825 30.5552 177.8710 18 G 4.1812 7.6376 106.3232 45.0695 0.0000 172.3380 19 D 5.0537 8.4636 111.8369 52.2221 41.4481 175.4164 20 P 4.4777 0.0000 0.0000 65.5469 32.2101 179.1428 21 D 4.4009 8.2432 117.3874 56.3916 41.2828 176.1447 22 N 4.8042 8.4427 114.2137 52.9402 38.8540 175.0298 23 G 3.8763 8.3313 105.8118 45.5724 0.0000 173.6160 24 I 4.3796 7.8026 121.0860 58.9776 38.2737 175.8718 25 S 4.6198 8.4259 121.8838 57.3913 63.4716 172.3087 26 P 4.3192 0.0000 0.0000 64.5949 31.4400 177.1207 27 G 3.9138 8.8292 110.2808 45.4372 0.0000 173.6880 28 T 4.0765 7.3599 117.3817 62.8329 68.8352 174.9525 29 K 4.3936 8.4750 126.1764 55.9351 33.1944 177.7265 30 F 3.7328 9.7674 124.6548 61.5172 38.9781 177.6000 31 E 3.9145 8.2898 115.4159 58.8492 29.3560 177.7016 32 D 4.5521 7.6569 117.4658 53.1742 41.7911 176.7390 33 L 3.7407 6.6778 120.9235 53.6068 42.1892 175.4745 34 P 4.4269 0.0000 0.0000 62.5289 31.9952 177.1880 35 D 4.3643 8.5713 119.5163 56.8949 40.9055 176.5993 36 D 4.8696 7.7744 117.6245 52.8209 40.1631 176.2985 37 W 4.1554 8.1749 130.1318 58.3210 31.2847 175.3127 38 V 4.2682 6.5982 116.5003 58.7028 35.3344 174.8842 39 C 3.6846 8.6016 122.0332 59.1483 31.5955 173.1921 40 P 4.1090 0.0000 0.0000 64.7245 31.3330 177.0828 41 L 4.3389 7.5821 118.1571 55.9461 42.5009 176.8079 42 C 4.6015 7.7263 108.6273 56.9799 30.6639 174.6882 43 G 3.7462 8.2696 108.3280 45.5140 0.0000 173.9485 44 A 4.1090 7.5371 123.0329 51.2352 19.1100 176.0777 45 P 4.9386 0.0000 0.0000 61.5290 33.0237 177.3463 46 K 4.2934 8.8609 117.4210 59.7476 31.9181 179.5410 47 S 4.4319 8.3202 111.7146 60.5171 63.1345 174.2918 48 E 4.6875 8.8056 120.8889 56.2260 30.4033 175.1029 49 F 5.1704 8.4968 118.5202 55.8616 41.4086 174.9743 50 E 4.6873 8.8562 122.0670 54.1020 33.1526 174.8953 51 R 4.4898 8.7615 125.3475 56.9168 30.7043 175.7211 52 I 4.6943 8.3600 115.6344 58.5345 41.2373 175.3902 53 E 4.1117 8.6472 120.7898 56.8382 29.3087 177.1731 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 A 8.12 4.41 1.32 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 0.00 0.00 0.00 3 K 8.33 4.87 0.00 1.72 1.62 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.49 7.81 4 L 9.17 5.12 0.00 1.73 1.55 0.94 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.96 4.88 0.00 3.87 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 6 C 8.66 3.30 0.00 2.79 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 7 K 8.74 3.76 0.00 1.62 1.81 0.00 1.91 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.50 7.81 8 I 7.18 4.25 1.82 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 1.29 0.79 0.89 0.00 0.00 9 C 7.34 4.64 0.00 3.06 3.02 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 10 G 8.61 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 11 Y 7.61 4.42 0.00 3.07 3.01 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 12 I 7.22 4.83 1.69 0.00 0.00 0.81 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 0.88 0.87 0.00 0.00 13 Y 9.23 4.23 0.00 3.46 3.01 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 14 D 7.85 4.91 0.00 2.58 2.29 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.90 3.93 0.00 1.93 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 2.71 2.54 0.00 16 D 8.57 4.38 0.00 2.72 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 17 E 8.08 4.13 0.00 1.90 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 2.34 2.32 0.00 18 G 7.64 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 19 D 8.46 5.05 0.00 3.31 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 20 P 0.00 4.48 0.00 2.30 2.34 0.00 3.87 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.00 0.00 21 D 8.24 4.40 0.00 2.71 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 22 N 8.44 4.80 0.00 3.14 2.82 0.00 0.00 7.07 8.16 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 23 G 8.33 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 24 I 7.80 4.38 2.22 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 1.48 1.38 0.94 0.00 0.00 25 S 8.43 4.62 0.00 3.90 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 26 P 0.00 4.32 0.00 2.03 2.14 0.00 3.69 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 2.04 2.25 0.00 27 G 8.83 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.36 4.08 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 1.13 0.00 0.00 29 K 8.48 4.39 0.00 1.82 1.76 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.55 1.44 7.81 30 F 9.77 3.73 0.00 3.03 3.03 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 31 E 8.29 3.91 0.00 2.13 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 2.37 0.00 32 D 7.66 4.55 0.00 2.70 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 33 L 6.68 3.74 0.00 0.93 0.85 -1.36 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.43 0.00 2.38 2.16 0.00 3.55 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.02 0.00 35 D 8.57 4.36 0.00 2.67 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 36 D 7.77 4.87 0.00 2.77 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 4.16 0.00 3.14 3.03 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 38 V 6.60 4.27 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 0.62 0.00 0.00 0.63 0.00 0.00 39 C 8.60 3.68 0.00 3.18 2.94 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 40 P 0.00 4.11 0.00 1.97 1.99 0.00 2.80 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.66 0.00 41 L 7.58 4.34 0.00 1.64 1.74 1.07 0.83 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 42 C 7.73 4.60 0.00 3.00 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 43 G 8.27 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.54 4.11 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.94 0.00 2.32 2.26 0.00 3.78 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.03 0.00 46 K 8.86 4.29 0.00 1.90 1.97 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.75 7.81 47 S 8.32 4.43 0.00 4.06 4.09 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 0.00 0.00 0.00 0.00 48 E 8.81 4.69 0.00 2.11 1.96 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 2.32 2.45 0.00 49 F 8.50 5.17 0.00 3.29 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 50 E 8.86 4.69 0.00 2.04 1.70 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 2.18 2.29 0.00 51 R 8.76 4.49 0.00 1.69 1.82 0.00 3.46 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 52 I 8.36 4.69 1.85 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 1.21 0.64 0.95 0.00 0.00 53 E 8.65 4.11 0.00 1.97 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 0.00 2.30 2.29 0.00