NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.5523 8.1833 119.4390 57.6361 41.6010 177.0301 2 L 3.9406 7.8565 120.2212 57.3403 41.1152 177.7526 3 D 4.4393 8.3208 118.8547 57.3493 41.2609 178.4542 4 G 3.5632 7.9392 105.3994 47.9693 0.0000 175.3878 5 I 3.5180 7.4558 122.0622 63.8990 36.8279 177.7882 6 D 4.5214 8.1437 118.9006 57.3910 40.8947 178.7737 7 K 3.9969 7.6177 117.4041 59.5694 32.1231 179.3092 8 A 3.7540 7.6207 121.3115 54.9127 18.0914 179.3769 9 Q 3.8804 9.2081 118.6951 59.3540 29.1291 178.1981 10 E 3.9388 7.9274 120.1668 59.2608 29.6870 178.3620 11 E 4.1367 8.1760 119.1463 59.4822 29.1060 178.2410 12 H 4.0606 8.4428 118.3958 59.3449 29.7643 176.7981 13 E 4.1082 8.0534 119.5866 59.2334 29.4917 178.5511 14 K 3.7513 7.8099 117.4700 58.7436 32.1074 177.2851 15 Y 4.6736 7.1521 111.2425 56.6490 39.9528 174.7100 16 H 3.7265 9.4128 116.6727 56.1246 27.0481 175.3153 17 S 4.3193 7.9349 111.3778 58.2105 63.9130 174.1853 18 N 4.6989 8.3708 119.0323 52.4978 40.4021 176.4040 19 W 4.4137 8.7948 119.7185 59.8718 27.9678 178.7577 20 R 2.8749 6.4847 118.2426 58.5820 29.4368 178.5887 21 A 3.8750 7.5670 119.9588 55.4614 18.5099 179.4075 22 M 4.2369 7.9811 116.5301 58.5013 31.9500 178.8205 23 A 4.1674 8.5456 121.3579 55.4376 18.3996 179.7130 24 S 4.0485 8.0650 110.4637 61.3408 62.5008 175.7033 25 D 4.3280 8.4594 121.3081 56.8273 40.7091 177.9650 26 F 4.5365 8.1373 113.9974 55.8917 40.0783 175.2223 27 N 4.2847 8.2665 115.4189 54.4986 36.5090 173.9898 28 L 4.8161 7.7290 115.5288 51.8039 44.9328 175.3404 29 P 4.4773 0.0000 0.0000 62.2242 31.4658 175.3410 30 P 4.2099 0.0000 0.0000 65.9791 30.8864 178.9438 31 V 3.6030 7.6419 116.3200 65.9801 31.2718 178.1311 32 V 3.5523 7.6666 117.1776 65.9968 30.9415 177.8610 33 A 4.1181 7.9906 120.0183 55.2713 18.3774 179.6379 34 K 4.0483 9.3446 117.5614 59.3810 31.7756 179.1689 35 E 3.9280 8.2191 119.2790 59.3493 29.8477 178.5794 36 I 3.8190 7.5509 119.7908 64.3820 37.1702 178.5238 37 V 3.6043 7.6257 117.7452 65.9933 31.1518 177.9794 38 A 4.0659 7.7722 119.4771 55.0299 18.2304 179.3093 39 S 4.5058 7.7395 112.6961 59.8637 63.3333 174.5284 40 C 4.3541 7.7024 122.0187 58.3635 31.3857 173.4352 41 D 4.3709 8.6160 129.5809 57.1840 40.2339 178.9486 42 K 4.0205 7.9542 117.9843 59.4874 32.2975 177.9465 43 C 4.3135 7.9799 114.4910 61.6449 28.0839 174.1323 44 Q 4.0249 7.7292 121.5967 58.0865 29.0998 175.8586 45 L 4.2006 8.0235 127.5470 54.5261 41.0725 176.7213 46 K 4.4133 9.9652 123.7283 54.9514 32.7183 176.2817 47 G 3.5069 8.1094 111.7071 45.9958 0.0000 172.8857 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 F 8.18 4.55 0.00 3.16 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 2 L 7.86 3.94 0.00 1.81 1.73 0.93 0.79 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 3 D 8.32 4.44 0.00 2.78 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 4 G 7.94 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 5 I 7.46 3.52 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.81 0.87 0.00 0.00 6 D 8.14 4.52 0.00 2.99 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 7 K 7.62 4.00 0.00 1.94 2.00 0.00 1.83 0.00 0.00 1.87 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.48 7.81 8 A 7.62 3.75 0.67 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 0.00 0.00 9 Q 9.21 3.88 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 10 E 7.93 3.94 0.00 2.08 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 2.33 2.32 0.00 11 E 8.18 4.14 0.00 2.36 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 12 H 8.44 4.06 0.00 3.38 3.48 0.00 5.84 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.05 4.11 0.00 1.99 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 2.24 2.29 0.00 14 K 7.81 3.75 0.00 1.44 0.74 0.00 1.70 0.00 0.00 1.78 0.00 0.00 3.27 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 1.50 7.81 15 Y 7.15 4.67 0.00 2.95 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 16 H 9.41 3.73 0.00 3.30 3.35 0.00 5.66 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 17 S 7.93 4.32 0.00 3.97 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 18 N 8.37 4.70 0.00 2.58 2.59 0.00 0.00 6.53 7.65 0.00 0.00 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 W 8.79 4.41 0.00 3.65 3.42 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 0.00 0.00 0.00 0.00 20 R 6.48 2.87 0.00 1.25 1.44 0.00 2.73 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 21 A 7.57 3.87 1.27 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 0.00 0.00 22 M 7.98 4.24 0.00 2.27 2.30 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.73 0.00 23 A 8.55 4.17 1.72 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 24 S 8.07 4.05 0.00 4.00 3.84 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 25 D 8.46 4.33 0.00 2.91 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 0.00 0.00 0.00 26 F 8.14 4.54 0.00 3.04 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 27 N 8.27 4.28 0.00 2.86 2.90 0.00 0.00 6.77 8.58 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 28 L 7.73 4.82 0.00 1.68 1.56 0.87 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.48 0.00 2.21 2.19 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 30 P 0.00 4.21 0.00 1.69 0.95 0.00 3.62 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.15 0.00 31 V 7.64 3.60 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 1.21 0.00 0.00 0.87 0.00 0.00 32 V 7.67 3.55 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 0.99 0.00 0.00 0.86 0.00 0.00 33 A 7.99 4.12 1.66 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 0.00 0.00 34 K 9.34 4.05 0.00 1.69 1.66 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.59 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.62 0.71 7.81 35 E 8.22 3.93 0.00 2.10 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 2.32 2.51 0.00 36 I 7.55 3.82 2.07 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 1.39 0.92 0.87 0.00 0.00 37 V 7.63 3.60 2.34 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 1.06 0.00 0.00 1.22 0.00 0.00 38 A 7.77 4.07 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 39 S 7.74 4.51 0.00 4.00 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 40 C 7.70 4.35 0.00 2.87 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 41 D 8.62 4.37 0.00 2.74 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 42 K 7.95 4.02 0.00 1.77 1.82 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 43 C 7.98 4.31 0.00 3.08 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 44 Q 7.73 4.02 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.02 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 45 L 8.02 4.20 0.00 1.67 1.64 0.93 1.32 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 46 K 9.97 4.41 0.00 1.71 1.79 0.00 1.88 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.42 7.81 47 G 8.11 3.51 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 0.00 0.00 0.00