NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 V 3.7710 8.1545 120.3769 63.0865 33.0446 175.9570 12 S 4.5288 7.6761 117.9625 56.2368 61.6480 171.8729 13 Y 4.3184 7.9908 121.5143 57.9394 39.6784 175.3389 14 P 4.5922 0.0000 0.0000 63.0895 32.3534 177.0020 15 I 4.0336 8.2542 116.9555 60.7277 36.2343 176.4557 16 F 3.9968 8.1329 116.9966 56.0166 40.4291 173.9588 17 T 4.7332 8.0584 119.6577 59.3065 70.6233 175.0984 18 V 3.7213 8.5378 123.8479 65.2287 31.0391 178.2654 19 R 3.9299 7.9115 119.2735 58.7938 29.7045 178.2156 20 W 4.1278 8.2002 128.1106 60.3195 30.4272 178.0666 21 V 3.5332 7.9760 116.7181 66.3964 31.3354 177.2003 22 A 4.0068 8.0606 120.5333 54.4237 18.3726 179.3999 23 V 3.4534 8.4976 116.5766 65.8241 31.6080 177.8130 24 H 4.2196 7.5824 115.2085 57.6805 29.0506 177.2331 25 T 3.8726 7.6781 110.7861 64.2183 68.5255 175.6159 26 L 4.2559 7.6385 120.3883 56.0924 42.4429 178.5928 27 A 3.8848 7.2481 120.0815 54.9437 18.3527 179.8206 28 V 3.4493 7.9337 117.1050 65.6968 31.5857 176.4281 29 P 4.2305 0.0000 0.0000 66.4430 31.1515 177.9084 30 T 3.6490 7.5121 113.7871 67.1382 68.3093 175.9628 31 I 3.6566 7.9648 120.4652 64.8895 37.5413 178.0822 32 F 4.2259 8.3493 121.0773 61.4870 39.0453 177.3353 33 F 3.9884 8.8720 117.3502 60.7580 38.9430 177.6330 34 L 3.5945 8.8819 119.1367 57.8811 41.1097 180.0046 35 G 3.5565 8.0113 104.6654 47.2879 0.0000 175.5948 36 A 3.9544 7.5262 122.9167 55.0302 18.1684 179.8747 37 I 3.6187 8.5654 119.3463 64.3491 36.9437 178.4314 38 A 4.0516 7.8303 119.9967 54.3226 18.1059 178.9635 39 A 4.3419 7.8413 119.5470 55.0870 18.5101 179.6595 40 M 4.0369 7.8260 117.3887 58.3810 31.8144 178.5049 41 Q 3.4888 7.9078 116.5715 57.7050 29.0557 177.3971 42 F 4.7613 7.3211 115.9311 56.8691 40.4907 175.5247 43 I 4.0165 8.6336 124.5871 60.9704 37.3231 175.1750 44 Q 4.3833 8.2513 121.7525 54.9284 31.8177 174.6897 45 R 3.9443 8.5861 116.8535 56.9601 31.1210 175.3430 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 8.15 3.77 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 0.00 0.00 0.39 0.00 0.00 0.81 0.00 0.00 12 S 7.68 4.53 0.00 3.73 3.65 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 0.00 0.00 0.00 0.00 13 Y 7.99 4.32 0.00 2.96 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 14 P 0.00 4.59 0.00 2.10 2.02 0.00 3.80 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 2.08 2.11 0.00 15 I 8.25 4.03 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.67 0.91 0.00 0.00 16 F 8.13 4.00 0.00 2.64 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 4.73 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 1.33 0.00 0.00 18 V 8.54 3.72 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 0.77 0.00 0.00 0.98 0.00 0.00 19 R 7.91 3.93 0.00 1.90 2.04 0.00 3.11 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 20 W 8.20 4.13 0.00 3.37 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 3.53 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 0.96 0.00 0.00 1.22 0.00 0.00 22 A 8.06 4.01 1.33 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 0.00 0.00 0.00 0.00 0.00 23 V 8.50 3.45 1.98 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 0.93 0.00 0.00 1.00 0.00 0.00 24 H 7.58 4.22 0.00 2.62 2.87 0.00 5.87 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 25 T 7.68 3.87 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 1.18 0.00 0.00 26 L 7.64 4.26 0.00 1.61 1.64 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.25 3.88 1.28 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 0.00 0.00 28 V 7.93 3.45 2.09 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 0.98 0.00 0.00 0.87 0.00 0.00 29 P 0.00 4.23 0.00 1.94 1.86 0.00 3.60 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 2.25 2.07 0.00 30 T 7.51 3.65 4.37 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 1.19 0.00 0.00 31 I 7.96 3.66 1.92 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.17 0.95 0.00 0.00 32 F 8.35 4.23 0.00 3.31 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 8.87 3.99 0.00 3.28 3.11 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 34 L 8.88 3.59 0.00 1.68 1.77 0.93 1.13 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 8.01 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 36 A 7.53 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 37 I 8.57 3.62 1.91 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 1.40 0.82 0.89 0.00 0.00 38 A 7.83 4.05 1.43 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 0.00 0.00 0.00 39 A 7.84 4.34 1.42 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 0.00 0.00 40 M 7.83 4.04 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.53 0.00 41 Q 7.91 3.49 0.00 1.04 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.23 0.00 42 F 7.32 4.76 0.00 2.99 3.04 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 43 I 8.63 4.02 1.86 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 1.38 0.58 0.91 0.00 0.00 44 Q 8.25 4.38 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.02 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 45 R 8.59 3.94 0.00 1.86 1.87 0.00 3.27 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 1.54 1.60 0.00