NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6336 8.2227 120.3138 52.9781 41.1997 175.7214 2 H 3.7258 8.8301 118.1671 58.8083 29.3976 174.7470 3 Y 3.8479 8.9049 122.0944 61.0447 39.0939 177.4686 4 N 4.3610 9.0405 117.6093 56.1909 38.5192 176.5282 5 C 4.1207 8.3667 120.3331 59.8824 44.5213 175.9569 6 V 3.5945 7.5700 120.9659 65.4194 30.8575 177.9610 7 S 3.9321 7.7356 114.6279 61.2872 62.7277 175.9708 8 S 4.5300 7.6429 113.4028 57.9991 63.1774 174.8177 9 G 3.7483 8.0097 110.6895 46.0219 0.0000 173.9648 10 G 4.0085 7.9739 108.2129 45.2927 0.0000 172.9231 11 Q 4.9101 8.7258 117.7332 54.0425 32.5155 174.8049 12 C 4.9508 8.7025 120.2626 56.1674 38.4582 173.0837 13 L 4.9829 8.9694 124.0756 53.1353 44.8217 177.8026 14 Y 4.2245 9.0213 119.9666 60.1024 38.3020 176.0102 15 S 4.6061 7.8105 115.0515 56.3621 64.7425 173.2648 16 A 4.1179 8.3323 123.7718 52.5869 18.4387 178.2490 17 C 4.4104 8.5581 118.4353 56.1135 41.6232 172.5456 18 P 4.4997 0.0000 0.0000 62.0583 31.7078 175.4322 19 I 3.5292 7.8604 119.1711 63.1065 37.2942 176.6631 20 F 4.3227 8.5139 121.3518 57.6005 37.3056 174.6958 21 T 5.0860 7.9474 109.6691 58.7478 71.3841 173.5739 22 K 4.7783 8.1041 120.3326 54.6359 36.6725 175.2971 23 I 4.2389 8.3939 121.3527 61.5927 37.6721 176.4752 24 A 4.5072 9.0392 129.4252 51.6463 18.5548 174.6564 25 G 3.7462 8.5805 107.7745 45.1494 0.0000 172.8581 26 T 5.0999 8.0043 107.9751 60.1642 72.2434 172.9343 27 C 4.6656 8.0842 118.0255 56.0736 44.9866 173.0967 28 Y 4.0273 8.5377 115.6358 60.4178 34.1145 170.5387 29 R 3.8698 8.9064 112.0661 57.3859 28.3373 178.2979 30 G 3.9682 8.3730 103.3801 45.7760 0.0000 175.0004 31 K 4.2138 8.0166 118.1352 57.4438 32.7219 176.3062 32 A 4.6113 7.8593 120.1533 49.6572 22.7955 175.0860 33 K 4.5094 8.6990 118.7644 55.3009 34.4821 175.4522 34 C 4.8247 8.7567 124.7924 56.2477 46.2329 171.4319 35 C 5.4640 9.3475 124.4413 55.0252 41.0290 174.0979 36 K 4.2061 9.1549 125.1901 56.5586 32.3439 175.7281 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 D 8.22 4.63 0.00 2.88 2.91 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 2 H 8.83 3.73 0.00 3.21 3.45 0.00 5.68 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 3 Y 8.90 3.85 0.00 3.18 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 4 N 9.04 4.36 0.00 2.88 2.87 0.00 0.00 6.75 7.38 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 5 C 8.37 4.12 0.00 2.95 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 6 V 7.57 3.59 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.80 0.00 0.00 7 S 7.74 3.93 0.00 3.87 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 8 S 7.64 4.53 0.00 3.98 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 9 G 8.01 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 10 G 7.97 4.01 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 0.00 0.00 0.00 11 Q 8.73 4.91 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.86 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 12 C 8.70 4.95 0.00 2.66 2.25 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 0.00 13 L 8.97 4.98 0.00 1.47 1.53 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 9.02 4.22 0.00 3.02 3.06 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 0.00 0.00 0.00 0.00 15 S 7.81 4.61 0.00 3.91 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.33 4.12 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 17 C 8.56 4.41 0.00 2.96 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 18 P 0.00 4.50 0.00 2.23 2.18 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 19 I 7.86 3.53 1.45 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.58 -0.44 0.00 0.00 20 F 8.51 4.32 0.00 3.26 3.18 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 21 T 7.95 5.09 4.26 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 0.00 0.00 0.00 1.33 0.00 0.00 22 K 8.10 4.78 0.00 1.79 1.90 0.00 1.52 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.43 7.81 23 I 8.39 4.24 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 1.26 0.52 0.88 0.00 0.00 24 A 9.04 4.51 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 25 G 8.58 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 26 T 8.00 5.10 4.27 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 1.18 0.00 0.00 27 C 8.08 4.67 0.00 1.80 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 0.00 0.00 0.00 0.00 28 Y 8.54 4.03 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 29 R 8.91 3.87 0.00 1.99 2.03 0.00 3.47 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 30 G 8.37 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.02 4.21 0.00 2.14 2.20 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.49 7.81 32 A 7.86 4.61 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.70 4.51 0.00 1.73 1.67 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.34 7.81 34 C 8.76 4.82 0.00 2.89 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 35 C 9.35 5.46 0.00 2.82 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 36 K 9.15 4.21 0.00 1.71 1.54 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.34 7.81