NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 V 3.7982 8.0544 120.3367 63.0884 32.8102 175.5639 12 S 4.3132 7.7100 115.9604 55.9170 60.8875 171.5002 13 Y 4.4009 7.1029 120.6931 57.1274 39.6319 174.3272 14 P 4.7509 0.0000 0.0000 61.9474 33.8349 174.1997 15 I 3.8580 7.9290 118.7538 61.7643 38.3738 176.3499 16 F 3.0711 8.8464 127.3417 58.5479 39.4921 174.8616 17 T 4.7978 8.1124 119.1175 59.2809 72.0333 174.3870 18 V 3.7141 8.2453 121.1540 64.8530 31.4073 177.9691 19 R 3.8783 8.1181 119.2220 58.8320 29.8421 177.8442 20 W 4.0940 8.3057 127.4294 60.6555 30.4667 177.3934 21 V 3.4577 7.7558 116.1411 66.7191 31.1239 177.1113 22 A 3.8869 8.1747 119.4889 55.5260 18.0618 179.5973 23 V 3.3186 8.2180 114.9351 66.4214 31.7936 178.3291 24 H 3.9671 7.8895 115.7906 58.2728 28.3946 177.6744 25 T 4.0071 7.7956 111.2593 64.2199 68.5403 175.5887 26 L 4.3445 7.6214 120.1941 56.2622 42.2626 178.4768 27 A 3.8898 7.9783 120.8712 55.0764 18.3957 179.7821 28 V 3.5391 7.9833 117.0024 65.6892 31.6471 176.2913 29 P 4.4399 0.0000 0.0000 66.6903 31.2961 177.9532 30 T 3.8246 7.8188 112.6880 67.5770 68.3516 175.8402 31 I 3.7816 7.9822 120.4188 64.9902 37.5724 178.3259 32 F 4.1627 8.2468 120.6159 61.0609 39.0623 177.3353 33 F 3.7961 8.5991 117.5797 60.4425 38.9456 177.7463 34 L 4.0120 8.6047 119.0764 57.7556 41.0871 180.0692 35 G 3.4502 7.8916 104.8010 47.4117 0.0000 175.4292 36 A 3.9061 7.3236 123.0216 54.8546 18.3091 179.5605 37 I 3.5718 8.3945 118.2071 64.7657 37.0360 178.3445 38 A 3.9824 8.0127 121.0808 55.4904 17.8861 179.5247 39 A 4.2865 7.9872 119.0574 55.4232 18.4333 179.7144 40 M 4.0743 8.3280 117.5644 58.4322 31.8075 178.4417 41 Q 3.9240 7.3808 116.9650 57.6113 29.0864 177.2221 42 F 4.7429 7.6750 116.8505 57.0228 40.8200 176.0455 43 I 4.1147 7.7668 122.2528 61.5994 38.1774 175.8451 44 Q 4.2067 7.8472 122.5931 55.4511 30.2960 174.7639 45 R 4.1424 8.4649 113.2146 56.9353 28.8044 174.5954 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 11 V 8.05 3.80 1.02 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 0.73 0.00 0.00 0.81 0.00 0.00 12 S 7.71 4.31 0.00 3.84 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 13 Y 7.10 4.40 0.00 3.04 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 14 P 0.00 4.75 0.00 2.21 2.13 0.00 3.90 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 15 I 7.93 3.86 1.98 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 1.39 0.67 0.25 0.00 0.00 16 F 8.85 3.07 0.00 2.74 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 17 T 8.11 4.80 4.28 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 1.35 0.00 0.00 18 V 8.25 3.71 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 0.78 0.00 0.00 0.98 0.00 0.00 19 R 8.12 3.88 0.00 1.93 2.04 0.00 3.19 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 20 W 8.31 4.09 0.00 3.36 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 21 V 7.76 3.46 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.33 0.00 0.00 22 A 8.17 3.89 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 23 V 8.22 3.32 2.08 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 0.95 0.00 0.00 0.98 0.00 0.00 24 H 7.89 3.97 0.00 2.74 2.95 0.00 5.88 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.80 4.01 4.21 0.00 0.00 0.00 0.00 0.00 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 26 L 7.62 4.34 0.00 1.64 1.68 0.88 0.85 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 27 A 7.98 3.89 1.16 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 0.00 0.00 28 V 7.98 3.54 2.16 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 1.02 0.00 0.00 0.92 0.00 0.00 29 P 0.00 4.44 0.00 2.29 2.30 0.00 3.78 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 2.39 2.21 0.00 30 T 7.82 3.82 4.43 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 1.23 0.00 0.00 31 I 7.98 3.78 1.93 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.64 0.96 0.00 0.00 32 F 8.25 4.16 0.00 3.17 3.29 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 33 F 8.60 3.80 0.00 3.32 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 34 L 8.60 4.01 0.00 1.82 1.76 0.94 0.89 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 35 G 7.89 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.32 3.91 1.03 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 0.00 0.00 37 I 8.39 3.57 1.90 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.88 0.93 0.00 0.00 38 A 8.01 3.98 1.46 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 0.00 0.00 0.00 39 A 7.99 4.29 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 40 M 8.33 4.07 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.59 0.00 41 Q 7.38 3.92 0.00 1.58 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.70 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 42 F 7.67 4.74 0.00 2.91 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 43 I 7.77 4.11 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.64 0.93 0.00 0.00 44 Q 7.85 4.21 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.89 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 45 R 8.46 4.14 0.00 1.88 1.87 0.00 3.06 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.53 0.00