NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6249 8.2227 120.3124 53.0478 41.1086 175.8463 2 H 3.7402 8.8139 117.8687 58.7350 29.6004 174.7793 3 Y 3.7678 8.2958 121.0032 60.7447 39.0570 177.0185 4 N 4.3750 8.8064 117.8793 56.9188 38.9946 175.5800 5 C 4.0636 8.5185 120.1393 59.9004 38.1398 175.7778 6 V 3.6000 7.9056 119.9466 65.9292 31.0269 177.8935 7 S 4.2693 7.7182 111.3336 59.9380 62.9580 175.2415 8 S 4.7004 7.5792 118.1509 57.9203 62.9057 174.3521 9 G 3.7671 7.8176 108.8517 45.9970 0.0000 174.0350 10 G 4.0799 7.9274 107.6309 44.4541 0.0000 173.1408 11 Q 4.7164 8.7759 120.1407 54.2499 32.3374 173.5863 12 C 4.9613 8.7421 123.5018 56.4487 39.0665 173.0704 13 L 4.8647 8.7864 123.2425 53.5768 45.4827 177.1924 14 Y 4.1500 9.0742 120.9998 60.6885 38.2846 176.3276 15 S 4.4726 7.9338 113.0417 56.9799 64.6124 173.2418 16 A 4.1172 8.3238 122.6270 52.4342 18.5149 178.2284 17 C 4.4087 8.5235 118.8388 56.1571 41.1873 172.3776 18 P 4.4884 0.0000 0.0000 61.6471 31.9372 175.2267 19 I 3.4789 7.9360 118.2481 62.9743 37.8262 175.4048 20 F 4.1214 8.4609 124.0389 57.9760 35.9536 173.8667 21 T 5.0084 7.7575 110.2329 60.0768 72.1701 172.7643 22 K 4.6668 8.1919 118.8029 55.2604 36.1251 175.2393 23 I 4.2127 8.3477 122.1245 61.3046 37.3979 176.6849 24 A 4.4937 9.0574 129.0780 50.7039 17.9603 174.7319 25 G 3.7134 8.4920 109.0083 43.8672 0.0000 170.9957 26 T 4.9889 8.0616 107.1126 60.0704 72.1639 172.8281 27 C 4.6338 8.1640 117.9240 56.3436 46.0859 172.7099 28 Y 3.7142 8.4173 116.0319 60.6311 33.7179 170.2395 29 R 3.8249 8.9775 113.8111 57.2854 28.4366 178.1894 30 G 3.9804 8.3275 103.1643 45.6859 0.0000 175.0767 31 K 4.1605 8.1038 118.5381 57.5845 32.6655 176.4202 32 A 4.5904 7.8438 120.1333 49.6386 22.5551 175.3105 33 K 4.5089 8.7032 118.7429 55.4921 34.4472 175.3813 34 C 4.9103 8.8088 124.4727 55.7961 44.7387 171.5230 35 C 5.5295 9.2164 124.2746 55.2035 42.8304 174.3428 36 K 4.2352 8.5847 121.4284 56.7443 32.5569 176.1601 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 4.62 0.00 2.96 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 8.81 3.74 0.00 3.36 3.47 0.00 5.68 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.30 3.77 0.00 3.19 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 4 N 8.81 4.38 0.00 2.97 3.02 0.00 0.00 6.93 7.56 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 5 C 8.52 4.06 0.00 2.99 3.08 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 6 V 7.91 3.60 1.85 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 0.87 0.00 0.00 0.75 0.00 0.00 7 S 7.72 4.27 0.00 3.94 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 7.58 4.70 0.00 3.98 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 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 11 Q 8.78 4.72 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.91 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 12 C 8.74 4.96 0.00 2.74 2.24 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 13 L 8.79 4.86 0.00 1.51 1.54 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 9.07 4.15 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 15 S 7.93 4.47 0.00 4.01 3.96 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 A 8.32 4.12 1.26 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 0.00 0.00 0.00 17 C 8.52 4.41 0.00 2.96 3.02 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 18 P 0.00 4.49 0.00 2.23 2.20 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 19 I 7.94 3.48 1.64 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.21 0.88 0.00 0.00 20 F 8.46 4.12 0.00 3.31 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 7.76 5.01 4.33 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 1.25 0.00 0.00 22 K 8.19 4.67 0.00 1.79 1.88 0.00 1.51 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.47 7.81 23 I 8.35 4.21 1.85 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 1.25 0.51 0.88 0.00 0.00 24 A 9.06 4.49 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.49 3.71 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 0.00 0.00 0.00 26 T 8.06 4.99 4.29 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 1.17 0.00 0.00 27 C 8.16 4.63 0.00 1.83 2.01 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 28 Y 8.42 3.71 0.00 3.08 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 29 R 8.98 3.82 0.00 1.96 2.00 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 1.63 1.60 0.00 30 G 8.33 3.98 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 0.00 0.00 0.00 31 K 8.10 4.16 0.00 2.04 2.13 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.68 1.66 7.81 32 A 7.84 4.59 0.46 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 33 K 8.70 4.51 0.00 1.73 1.66 0.00 1.84 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.33 7.81 34 C 8.81 4.91 0.00 2.87 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 35 C 9.22 5.53 0.00 2.82 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 36 K 8.58 4.24 0.00 1.58 1.62 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.35 7.81