NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9465 8.2133 109.7318 45.4621 0.0000 173.8000 2 T 3.6400 8.5577 114.8589 65.7932 68.1712 174.6347 3 K 3.8514 8.7876 122.2982 59.7784 32.7008 178.3319 4 Q 3.9176 7.9305 117.6470 58.9659 28.5757 178.5166 5 E 3.0580 8.2376 122.0620 59.5556 29.3501 180.2602 6 K 3.9935 8.1839 123.9984 59.9716 31.7246 181.2939 7 T 4.0459 7.9865 116.9834 66.3336 68.2907 176.6165 8 A 3.9089 7.8589 122.5850 55.0477 18.4202 179.3363 9 L 4.0829 8.0767 119.1299 58.5875 42.2016 178.9551 10 N 4.4490 8.6019 116.7281 56.5594 38.3884 177.3158 11 M 3.4387 8.4685 120.2330 58.2027 32.0724 178.5545 12 A 3.9092 8.1837 121.0760 55.1045 18.5172 179.7367 13 R 3.2200 8.0655 117.3357 59.4148 30.2456 178.8440 14 F 4.5134 8.0218 115.7619 59.1437 37.8395 177.5791 15 I 3.6091 7.3979 120.9048 64.1275 36.7416 178.1037 16 R 3.8521 7.8402 119.6731 59.5565 29.7719 178.6754 17 S 4.1505 8.0757 113.9099 61.6663 62.8716 176.4456 18 Q 4.0601 8.7902 122.3620 58.7825 28.2959 178.7337 19 T 3.8897 8.3113 111.2754 64.6586 68.5818 176.3955 20 L 3.8797 7.8234 123.0203 58.2303 42.1723 178.9747 21 T 4.0031 8.0850 115.8578 66.6377 68.3612 176.3560 22 L 3.9551 8.2889 122.5655 57.9551 42.0334 178.6978 23 L 3.9521 8.0912 120.3508 58.2299 42.0496 178.7333 24 E 3.9598 8.3712 118.5982 59.4733 29.4130 179.6264 25 K 4.0149 8.1409 118.4179 59.3556 32.0796 179.4658 26 L 3.9865 8.3511 119.7475 57.8048 41.5529 179.0302 27 N 4.2721 8.5068 117.3859 56.7334 38.6504 176.4900 28 E 3.9877 8.0320 119.6776 58.9469 29.8127 177.9045 29 L 4.2805 7.7307 116.1548 53.9872 42.0899 176.1994 30 D 4.3593 7.7969 117.5875 55.4171 39.2323 175.4341 31 A 4.4869 7.7553 121.7411 50.9509 16.8771 177.3268 32 D 4.2992 7.9900 123.8646 56.8081 41.4677 177.6789 33 E 3.9338 8.0804 119.3318 59.4382 29.7607 178.7184 34 Q 3.9873 8.0670 117.3868 58.8060 28.7639 178.2864 35 A 3.9926 8.4127 122.2711 55.2064 18.5054 179.1104 36 D 4.2547 8.1797 116.3165 57.7464 41.2667 178.6330 37 I 3.7478 7.7750 120.2480 64.5374 36.9852 178.0606 38 C 4.1253 8.5475 120.0036 62.1129 31.3728 175.3073 39 E 3.9262 8.3451 121.4871 59.2179 29.2803 178.6920 40 S 4.1226 7.9895 112.8146 61.2253 62.3764 175.6576 41 L 3.9601 8.1546 123.3497 58.5290 41.7466 178.4892 42 H 4.3129 8.4674 119.5413 58.7448 29.7850 176.6330 43 D 4.3751 8.0541 120.6264 58.0408 40.6584 178.8619 44 H 4.0676 8.3627 115.9979 58.8260 28.6679 177.7904 45 A 3.9782 8.3968 122.9805 55.0518 18.1358 179.1340 46 D 4.2821 8.4662 117.0273 57.4210 41.3225 177.9844 47 E 3.8825 8.2675 119.8172 59.3298 29.5613 178.5960 48 L 3.9540 8.1573 120.4024 58.2279 42.0999 178.2428 49 Y 4.2066 8.2319 119.5394 60.8477 38.7088 178.2801 50 R 3.6346 8.1450 119.0136 59.1600 29.9032 178.9078 51 S 3.9448 7.9803 112.8233 61.6807 62.3766 176.1077 52 C 3.7918 8.3146 119.6957 62.5685 27.7671 176.0392 53 L 3.8355 7.9549 120.8179 57.6774 40.9203 179.3130 54 A 3.8307 7.7054 119.7016 54.8696 18.3022 178.9922 55 R 3.9662 7.0908 115.4229 57.8213 30.3468 177.5640 56 F 5.1577 8.0736 115.5078 57.2400 39.7913 177.3165 57 G 3.3875 8.3147 107.5693 45.8558 0.0000 173.7141 58 D 4.7606 7.4989 124.5553 54.8969 41.4739 173.4374 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 G 8.21 3.95 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 0.00 0.00 0.00 2 T 8.56 3.64 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 3 K 8.79 3.85 0.00 1.80 1.78 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.52 7.81 4 Q 7.93 3.92 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 5 E 8.24 3.06 0.00 1.98 1.61 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 1.94 2.39 0.00 6 K 8.18 3.99 0.00 1.75 1.81 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 7 T 7.99 4.05 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 8 A 7.86 3.91 1.17 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 0.00 0.00 0.00 9 L 8.08 4.08 0.00 2.04 1.92 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.60 4.45 0.00 3.00 2.97 0.00 0.00 7.08 7.24 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 11 M 8.47 3.44 0.00 1.76 2.15 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.67 0.00 12 A 8.18 3.91 1.56 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 13 R 8.07 3.22 0.00 1.97 2.05 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.98 0.00 14 F 8.02 4.51 0.00 3.23 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 15 I 7.40 3.61 1.85 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 -0.08 0.85 0.00 0.00 16 R 7.84 3.85 0.00 1.79 1.90 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 17 S 8.08 4.15 0.00 4.12 4.10 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 18 Q 8.79 4.06 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.83 0.00 0.00 0.00 0.00 0.00 2.67 2.78 0.00 19 T 8.31 3.89 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 1.26 0.00 0.00 20 L 7.82 3.88 0.00 1.69 1.85 0.83 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.09 4.00 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 1.21 0.00 0.00 22 L 8.29 3.96 0.00 1.81 1.86 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.09 3.95 0.00 1.87 1.87 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.37 3.96 0.00 2.21 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 0.00 2.32 2.45 0.00 25 K 8.14 4.01 0.00 1.96 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.70 7.81 26 L 8.35 3.99 0.00 1.79 1.72 0.93 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.51 4.27 0.00 2.87 2.96 0.00 0.00 6.88 7.33 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 28 E 8.03 3.99 0.00 2.14 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 2.32 2.35 0.00 29 L 7.73 4.28 0.00 1.81 1.69 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.80 4.36 0.00 2.82 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.76 4.49 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 32 D 7.99 4.30 0.00 2.70 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.08 3.93 0.00 2.03 1.94 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 2.38 2.40 0.00 34 Q 8.07 3.99 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.65 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 35 A 8.41 3.99 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.18 4.25 0.00 3.01 2.68 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 37 I 7.78 3.75 2.00 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 0.63 0.91 0.00 0.00 38 C 8.55 4.13 0.00 3.08 3.05 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 0.00 0.00 0.00 0.00 39 E 8.35 3.93 0.00 2.20 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 0.00 2.31 2.46 0.00 40 S 7.99 4.12 0.00 3.99 4.02 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 41 L 8.15 3.96 0.00 1.92 1.88 0.90 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 42 H 8.47 4.31 0.00 3.23 3.48 0.00 5.71 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 43 D 8.05 4.38 0.00 3.03 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 44 H 8.36 4.07 0.00 3.43 3.36 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.40 3.98 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 46 D 8.47 4.28 0.00 2.73 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 47 E 8.27 3.88 0.00 2.04 2.11 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 2.28 2.29 0.00 48 L 8.16 3.95 0.00 1.81 1.83 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.23 4.21 0.00 3.05 3.12 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 50 R 8.15 3.63 0.00 1.80 1.88 0.00 3.31 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.78 0.00 51 S 7.98 3.94 0.00 3.90 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 52 C 8.31 3.79 0.00 3.14 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 53 L 7.95 3.84 0.00 1.54 1.49 0.66 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.71 3.83 1.22 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 55 R 7.09 3.97 0.00 1.36 0.81 0.00 2.93 0.00 0.00 2.89 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.47 0.00 56 F 8.07 5.16 0.00 3.10 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.31 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 7.50 4.76 0.00 2.68 2.68 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