NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9867 8.0549 114.0535 62.0880 33.0998 174.7209 2 V 3.4714 8.4204 118.7318 60.8341 29.7621 171.7030 3 S 4.2229 7.6322 113.3265 59.2528 64.1072 172.3868 4 H 5.2801 8.3692 114.7087 54.4932 32.2744 170.8196 5 F 4.9112 7.7024 112.2070 57.4010 40.9303 172.8695 6 N 4.8801 8.9946 116.8914 54.3722 45.7800 175.3674 7 D 4.5607 8.6412 132.5186 54.6884 41.0624 175.5383 8 C 4.6663 8.8741 119.9719 57.5857 42.2096 172.9168 9 P 4.5255 0.0000 0.0000 62.2960 31.4676 176.2720 10 D 4.2819 8.4068 121.4085 53.4061 42.7590 175.6775 11 S 4.6972 8.4091 118.3122 59.3000 61.1427 171.0008 12 H 4.6952 7.6175 114.6417 57.5978 28.5780 176.7551 13 T 4.0027 7.7839 113.6931 64.0988 66.9878 174.0690 14 Q 4.2934 8.1637 120.8811 57.6015 29.0712 176.0598 15 F 4.5505 8.4475 115.4710 57.9135 38.8396 172.9145 16 C 4.9726 7.7968 114.6487 54.2374 44.5285 173.8266 17 F 4.3767 9.0938 126.2202 61.1081 39.4989 175.0527 18 H 4.5004 7.8679 114.0346 54.9444 31.0275 172.4891 19 G 3.9088 7.6059 109.7811 44.8694 0.0000 170.1927 20 T 4.2033 9.0228 110.5573 61.7943 70.1575 172.8909 21 C 5.3597 8.4780 122.2562 55.1771 41.5664 173.6700 22 R 4.5289 8.5272 123.4641 55.3563 34.7624 173.5607 23 F 4.9794 8.8711 127.0985 56.0334 42.2373 174.0790 24 L 4.0759 7.9738 129.4193 55.0831 41.8923 177.3533 25 V 3.6371 8.5185 127.3921 63.2514 31.5336 178.6811 26 Q 3.9628 7.9634 121.6412 57.7016 29.9231 178.3184 27 E 4.5352 7.0989 115.7174 60.2516 29.6196 178.1816 28 D 4.0429 7.9131 118.5669 53.9584 38.1112 177.3938 29 K 4.3197 6.9860 124.3499 54.4380 35.2495 172.7965 30 P 4.9891 0.0000 0.0000 62.4479 32.2391 176.1521 31 A 4.5172 8.7059 126.7555 50.9176 22.6760 172.0594 32 C 5.0320 8.8057 117.9874 53.9937 41.7653 174.3288 33 V 3.9817 8.3061 123.4345 62.2336 32.8715 175.9484 34 C 4.6762 8.4542 123.0437 56.9861 44.9660 170.6691 35 H 4.8329 9.9971 111.1135 54.2795 32.3838 173.4759 36 S 5.2958 8.6992 118.7847 59.0394 64.4717 177.3109 37 G 4.0833 8.2879 113.4009 46.5233 0.0000 172.6011 38 Y 4.8277 7.2707 119.8808 56.6458 41.1471 174.1733 39 V 4.3073 8.7092 111.7692 60.8246 36.2870 172.5586 40 G 4.2239 8.8347 107.1078 44.2997 0.0000 174.8247 41 A 3.9703 8.5948 122.6348 54.5658 18.3824 178.7946 42 R 4.5799 7.8835 111.8600 56.1984 30.7985 175.5875 43 C 4.2399 8.0366 110.9470 57.8772 37.7580 174.9479 44 E 3.4952 8.3352 120.7355 59.1605 29.6206 177.5908 45 H 4.3617 8.2789 115.2481 54.5735 29.9463 174.3385 46 A 3.5902 7.6016 123.3801 50.2587 19.7934 176.4426 47 D 4.0361 8.6521 122.0635 55.0549 40.3934 173.6508 48 L 3.8333 9.7351 115.7936 55.4095 40.2688 174.8330 49 L 4.5340 7.4337 114.4694 52.3668 42.7229 175.3349 50 A 4.1750 8.1354 125.9249 52.7670 18.2178 177.9942 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 V 8.05 3.99 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 0.89 0.00 0.00 0.92 0.00 0.00 2 V 8.42 3.47 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 0.53 0.00 0.00 0.88 0.00 0.00 3 S 7.63 4.22 0.00 3.85 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 4 H 8.37 5.28 0.00 2.91 3.31 0.00 5.42 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 F 7.70 4.91 0.00 3.11 2.95 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 0.00 0.00 0.00 6 N 8.99 4.88 0.00 2.89 2.66 0.00 0.00 6.99 7.88 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 7 D 8.64 4.56 0.00 2.85 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.87 4.67 0.00 3.18 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.53 0.00 2.16 2.08 0.00 3.72 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 1.96 1.97 0.00 10 D 8.41 4.28 0.00 2.13 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 0.00 0.00 0.00 0.00 11 S 8.41 4.70 0.00 3.80 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 12 H 7.62 4.70 0.00 3.14 3.10 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 7.78 4.00 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 1.30 0.00 0.00 14 Q 8.16 4.29 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 15 F 8.45 4.55 0.00 3.22 3.09 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 16 C 7.80 4.97 0.00 3.07 3.07 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 17 F 9.09 4.38 0.00 3.05 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 18 H 7.87 4.50 0.00 2.88 3.10 0.00 6.01 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.61 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 20 T 9.02 4.20 4.24 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 1.25 0.00 0.00 21 C 8.48 5.36 0.00 2.96 2.95 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 0.00 0.00 0.00 22 R 8.53 4.53 0.00 1.36 1.03 0.00 2.98 0.00 0.00 2.75 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 23 F 8.87 4.98 0.00 3.20 3.09 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 24 L 7.97 4.08 0.00 1.62 1.44 0.94 0.52 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 25 V 8.52 3.64 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 0.81 0.00 0.00 1.01 0.00 0.00 26 Q 7.96 3.96 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 7.58 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 27 E 7.10 4.54 0.00 1.82 1.79 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 2.15 2.23 0.00 28 D 7.91 4.04 0.00 2.58 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.99 4.32 0.00 1.55 1.54 0.00 1.56 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.48 7.81 30 P 0.00 4.99 0.00 1.84 2.23 0.00 3.63 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 1.56 1.68 0.00 31 A 8.71 4.52 1.13 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 0.00 0.00 0.00 0.00 0.00 32 C 8.81 5.03 0.00 3.16 3.07 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 33 V 8.31 3.98 2.06 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 0.84 0.00 0.00 0.89 0.00 0.00 34 C 8.45 4.68 0.00 3.09 2.98 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 35 H 10.00 4.83 0.00 2.91 2.89 0.00 6.14 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.70 5.30 0.00 4.01 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 37 G 8.29 4.08 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 0.00 0.00 0.00 38 Y 7.27 4.83 0.00 2.97 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 39 V 8.71 4.31 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 0.52 0.00 0.00 0.93 0.00 0.00 40 G 8.83 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.59 3.97 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 42 R 7.88 4.58 0.00 1.73 1.92 0.00 3.41 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.73 0.00 43 C 8.04 4.24 0.00 3.32 3.63 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 44 E 8.34 3.50 0.00 1.72 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 2.24 2.12 0.00 45 H 8.28 4.36 0.00 3.12 3.11 0.00 5.75 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.60 3.59 0.51 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 47 D 8.65 4.04 0.00 2.98 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 48 L 9.74 3.83 0.00 1.76 1.84 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.43 4.53 0.00 1.61 1.56 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.14 4.18 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