NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4909 8.1633 120.3264 54.8666 33.7445 175.7982 2 Q 3.8139 8.5636 117.7694 58.8494 28.2706 177.4430 3 S 4.0616 8.3377 116.2560 61.9211 63.2178 176.3379 4 V 3.5874 7.5041 120.3198 66.8084 31.2265 177.6195 5 I 3.6987 7.7903 118.8337 64.7783 36.9724 178.1891 6 T 3.8625 8.2514 116.5570 66.8711 68.1644 176.1114 7 D 4.5156 7.9454 120.1731 56.3169 41.0699 178.8060 8 V 3.7190 7.9390 119.2580 65.7291 31.4959 178.3025 9 T 3.9591 8.1913 116.0288 66.6043 68.0451 176.7147 10 G 3.8638 8.0484 107.5926 47.7502 0.0000 175.4094 11 Q 4.0235 7.4743 116.5318 58.5311 29.0658 177.9336 12 L 4.0798 7.6387 118.4188 58.1970 41.7943 179.7651 13 T 4.0675 8.0244 115.1393 66.5304 67.4120 176.6567 14 A 3.9505 7.4058 122.4195 55.6264 18.2942 179.8354 15 V 4.3854 8.2687 117.9805 65.1454 31.4727 178.0008 16 Q 3.9386 8.2063 118.1769 59.1337 28.5771 178.5955 17 A 3.9929 8.1150 120.7750 55.6287 18.3265 179.2440 18 D 4.2800 7.4949 116.9613 57.6242 40.8844 178.8108 19 I 3.6676 7.7254 120.0974 65.0060 37.1689 178.5269 20 T 3.8624 8.3114 116.5733 67.1437 67.8502 176.8640 21 T 3.9220 8.3746 117.9874 66.6440 68.5136 176.8451 22 I 3.9583 7.8721 122.0694 63.9238 37.0543 178.6694 23 G 3.6915 8.3092 107.0259 47.6752 0.0000 175.6572 24 G 3.7587 8.0307 108.5551 47.6004 0.0000 175.1373 25 A 4.0199 7.3380 120.9860 55.0187 18.5301 179.5653 26 I 3.8030 7.6248 117.4189 64.6635 37.1342 178.5844 27 I 3.6552 7.9204 120.7319 64.5498 36.8419 178.4610 28 V 3.5767 7.6817 118.4538 65.7710 30.9473 178.0908 29 L 4.0311 7.9710 118.4139 57.3579 41.6711 178.8618 30 A 4.0534 8.2071 120.8356 55.2526 18.1236 179.2899 31 A 3.8824 8.1037 118.8076 55.4636 18.2619 179.4478 32 V 3.8339 7.5634 115.3467 64.8040 31.7255 178.4077 33 V 3.5986 7.8711 119.0382 65.7263 31.8289 177.4824 34 L 3.9920 7.8114 118.2293 56.1492 41.5475 178.9352 35 G 3.7284 7.4178 107.0515 47.7881 0.0000 176.0264 36 I 3.5087 7.7442 122.6973 63.4419 37.3460 178.1953 37 R 4.2666 7.9989 118.2746 57.9403 30.1241 178.8521 38 W 4.5299 7.6188 117.4541 59.6779 29.0761 178.2801 39 I 4.0315 7.5845 119.7416 64.2526 36.5854 178.3525 40 K 3.7918 8.1848 118.5899 59.4942 31.8141 178.5791 41 A 4.1298 7.6250 120.4073 55.8928 18.0667 179.5199 42 Q 4.0758 7.8675 114.5389 59.3705 28.7850 179.7025 43 F 4.0607 8.5270 117.9354 60.5494 39.2238 175.4312 44 F 4.3062 8.2966 120.3400 57.8057 38.7271 175.3265 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 M 8.16 4.49 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 2 Q 8.56 3.81 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.74 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 3 S 8.34 4.06 0.00 3.85 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 4 V 7.50 3.59 2.23 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 1.10 0.00 0.00 0.93 0.00 0.00 5 I 7.79 3.70 2.03 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 1.64 0.68 0.91 0.00 0.00 6 T 8.25 3.86 4.24 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 1.21 0.00 0.00 7 D 7.95 4.52 0.00 2.76 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 8 V 7.94 3.72 2.18 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 1.03 0.00 0.00 0.96 0.00 0.00 9 T 8.19 3.96 4.42 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 1.21 0.00 0.00 10 G 8.05 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 7.47 4.02 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.65 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 12 L 7.64 4.08 0.00 1.73 1.76 0.92 0.69 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 13 T 8.02 4.07 4.24 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 1.21 0.00 0.00 14 A 7.41 3.95 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 15 V 8.27 4.39 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 1.40 0.00 0.00 0.93 0.00 0.00 16 Q 8.21 3.94 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.47 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 17 A 8.12 3.99 1.32 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 0.00 0.00 0.00 18 D 7.49 4.28 0.00 3.00 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 19 I 7.73 3.67 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 1.52 0.80 0.91 0.00 0.00 20 T 8.31 3.86 4.24 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 1.21 0.00 0.00 21 T 8.37 3.92 4.24 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 1.21 0.00 0.00 22 I 7.87 3.96 1.99 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 1.55 1.20 0.91 0.00 0.00 23 G 8.31 3.69 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 0.00 0.00 0.00 24 G 8.03 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.34 4.02 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 26 I 7.62 3.80 1.99 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 1.51 0.69 0.90 0.00 0.00 27 I 7.92 3.66 1.99 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 1.40 0.81 0.91 0.00 0.00 28 V 7.68 3.58 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 1.04 0.00 0.00 1.00 0.00 0.00 29 L 7.97 4.03 0.00 1.86 1.69 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.21 4.05 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 3.88 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.56 3.83 2.15 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 0.99 0.00 0.00 0.97 0.00 0.00 33 V 7.87 3.60 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.99 0.00 0.00 34 L 7.81 3.99 0.00 1.67 1.55 0.33 0.75 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 35 G 7.42 3.73 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 0.00 0.00 0.00 36 I 7.74 3.51 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 1.52 0.58 0.89 0.00 0.00 37 R 8.00 4.27 0.00 1.80 1.87 0.00 3.06 0.00 0.00 3.07 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 38 W 7.62 4.53 0.00 3.51 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 39 I 7.58 4.03 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.96 1.00 0.00 0.00 40 K 8.18 3.79 0.00 1.81 1.86 0.00 1.64 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.65 7.81 41 A 7.63 4.13 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 7.87 4.08 0.00 2.43 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.92 0.00 0.00 0.00 0.00 0.00 2.79 2.70 0.00 43 F 8.53 4.06 0.00 3.33 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.30 4.31 0.00 3.02 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