NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5616 8.2893 120.5927 55.9966 33.7998 173.8629 2 Q 4.2696 7.7768 120.9712 55.4612 32.3445 170.9826 3 R 5.1528 8.4734 117.1802 55.1616 34.1585 177.3599 4 G 4.3384 8.7269 106.1679 46.0781 0.0000 171.9782 5 K 5.2078 8.5942 117.8715 54.3341 37.1619 176.2556 6 V 3.8413 8.5600 123.6874 63.1788 31.9226 176.5660 7 K 4.3416 9.2941 131.2081 58.8472 32.4867 176.5801 8 W 5.2665 7.6641 114.6621 55.8529 31.5166 172.7054 9 F 4.9861 8.8525 122.6732 57.1751 42.0567 173.1489 10 N 4.6080 8.6980 126.0801 52.1264 38.3541 174.8727 11 N 4.5608 8.8056 125.5797 56.7314 39.4951 175.9736 12 E 4.1371 8.2949 116.5087 59.1930 29.6368 178.1448 13 K 4.1305 8.4195 116.6460 56.7693 32.7595 177.9048 14 G 3.9510 8.9884 107.5675 45.5715 0.0000 172.0492 15 Y 4.7389 6.0898 116.1104 55.6386 41.8874 173.9599 16 G 3.3335 7.5160 104.3195 46.0754 0.0000 172.2326 17 F 4.9426 7.5140 118.1580 55.6651 43.8001 173.9717 18 I 4.8139 8.5615 122.7610 59.5432 39.6408 174.4268 19 E 5.0123 9.3425 124.9377 54.8825 32.1359 174.8413 20 V 4.7457 8.1432 121.9778 60.7197 34.4128 174.0898 21 E 3.9113 9.0370 127.4117 58.0389 29.2386 176.8373 22 G 3.9119 9.5814 111.7522 45.6986 0.0000 171.8981 23 G 4.2279 7.8599 107.3933 43.7322 0.0000 173.0314 24 S 4.3909 8.3911 114.9421 57.9408 63.4367 174.3758 25 D 4.8153 8.5696 122.8856 55.0807 41.6574 176.0261 26 V 4.5219 8.7276 120.8636 60.7849 34.4439 174.7088 27 F 3.6013 8.9516 130.5291 57.9083 40.8751 173.8963 28 V 4.2673 7.2561 124.7659 59.9956 34.1947 174.0383 29 H 5.1290 8.3118 124.4647 53.8488 32.2130 175.3348 30 F 4.3348 8.6491 118.5458 59.9270 37.7294 177.4984 31 T 3.7077 6.9412 109.6376 63.3008 68.8837 174.7601 32 A 4.2425 7.9152 124.8894 53.0884 19.2977 177.0395 33 I 4.2723 7.4001 117.8950 60.9602 37.5814 176.3262 34 Q 4.1774 8.7624 125.4135 55.5480 29.6694 175.7783 35 G 3.8597 8.6355 105.9098 45.1046 0.0000 172.3317 36 E 4.3013 8.2475 117.0346 55.0688 31.3221 176.1454 37 G 3.9931 8.5299 104.2897 44.5822 0.0000 172.9924 38 F 3.8725 8.5152 120.7589 58.2160 39.4818 174.8743 39 K 4.0792 7.7627 127.6869 56.7189 31.3057 175.8407 40 T 4.2303 7.6655 116.6610 61.1972 70.1677 172.1587 41 L 4.6960 6.8064 122.7614 52.7821 45.8466 175.8120 42 E 4.7198 9.0385 120.3816 53.9338 32.1859 175.5878 43 E 4.2771 8.8734 123.2403 58.3721 29.8960 176.8830 44 G 4.0195 9.1977 115.2310 45.1103 0.0000 173.4980 45 Q 4.0960 7.9936 121.9066 56.2445 30.0594 175.6595 46 A 4.6958 8.6636 128.3508 52.2334 19.9726 176.4173 47 V 5.0850 8.9659 113.7632 59.9118 36.8491 174.1791 48 S 5.3831 8.8916 117.8343 57.0712 65.8369 172.9548 49 F 5.5691 8.6719 116.0583 56.9709 41.6490 172.2240 50 E 4.8920 9.2001 116.7400 54.5691 32.7871 174.7305 51 I 5.0091 8.3030 121.3967 60.0034 39.0531 175.3990 52 V 4.6225 8.9762 119.4810 59.6031 36.0981 174.3589 53 Q 4.8770 8.7282 120.7954 54.5752 30.8046 175.5750 54 G 4.3326 8.4371 115.2011 43.5855 0.0000 172.9987 55 N 4.3254 8.6959 115.4745 55.3528 37.2963 175.7988 56 R 4.1139 7.6235 115.6423 55.5297 31.0567 174.8760 57 G 3.7405 7.8562 104.3932 42.8823 0.0000 171.0175 58 P 5.1050 0.0000 0.0000 63.4585 31.7742 175.6780 59 Q 4.9002 9.1211 118.9808 55.0149 32.3554 173.5089 60 A 4.9552 8.7478 122.3772 52.1173 19.5053 176.7938 61 A 4.5527 8.9506 120.4674 50.2718 23.2576 175.4552 62 N 4.2140 8.6027 114.8304 54.5357 37.5994 174.8801 63 V 4.3104 7.7863 118.2550 62.7949 32.9233 175.0647 64 V 4.6317 8.6926 129.2678 60.8554 33.7271 174.7072 65 K 4.3975 8.6231 127.9115 56.1093 32.7164 177.0221 66 L 4.2689 8.4069 124.6182 54.9700 41.2650 176.9480 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 8.29 4.56 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 2 Q 7.78 4.27 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.53 0.00 0.00 0.00 0.00 0.00 1.19 1.93 0.00 3 R 8.47 5.15 0.00 1.69 1.88 0.00 3.24 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 4 G 8.73 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.59 5.21 0.00 1.71 1.67 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.40 7.81 6 V 8.56 3.84 2.27 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 0.97 0.00 0.00 0.90 0.00 0.00 7 K 9.29 4.34 0.00 1.81 1.88 0.00 2.09 0.00 0.00 1.93 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.72 1.66 7.81 8 W 7.66 5.27 0.00 3.49 3.14 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 9 F 8.85 4.99 0.00 2.96 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 10 N 8.70 4.61 0.00 2.71 2.35 0.00 0.00 6.42 7.53 0.00 0.00 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 N 8.81 4.56 0.00 2.89 2.92 0.00 0.00 7.26 7.65 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 12 E 8.29 4.14 0.00 2.07 2.00 0.00 0.00 0.00 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 2.28 0.00 13 K 8.42 4.13 0.00 1.50 1.95 0.00 1.79 0.00 0.00 1.92 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.36 7.81 14 G 8.99 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 15 Y 6.09 4.74 0.00 2.69 2.98 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 16 G 7.52 3.33 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 0.00 17 F 7.51 4.94 0.00 2.48 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 18 I 8.56 4.81 1.37 0.00 0.00 0.19 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 0.50 0.57 0.00 0.00 19 E 9.34 5.01 0.00 2.02 2.10 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 2.39 2.28 0.00 20 V 8.14 4.75 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 1.10 0.00 0.00 1.17 0.00 0.00 21 E 9.04 3.91 0.00 2.02 1.95 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 2.36 2.29 0.00 22 G 9.58 3.91 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 0.00 0.00 0.00 23 G 7.86 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 0.00 0.00 0.00 0.00 24 S 8.39 4.39 0.00 3.93 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 25 D 8.57 4.82 0.00 2.58 2.77 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 26 V 8.73 4.52 1.79 0.00 0.00 0.00 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 1.12 0.00 0.00 27 F 8.95 3.60 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 7.26 4.27 1.75 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 0.46 0.00 0.00 0.77 0.00 0.00 29 H 8.31 5.13 0.00 3.17 3.06 0.00 5.68 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.65 4.33 0.00 3.29 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 T 6.94 3.71 4.05 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 0.56 0.00 0.00 32 A 7.92 4.24 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 33 I 7.40 4.27 1.94 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 1.17 0.59 0.84 0.00 0.00 34 Q 8.76 4.18 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.43 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 35 G 8.64 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 36 E 8.25 4.30 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 37 G 8.53 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 F 8.52 3.87 0.00 2.97 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.76 4.08 0.00 1.66 1.96 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.40 7.81 40 T 7.67 4.23 4.61 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 0.00 0.00 1.42 0.00 0.00 41 L 6.81 4.70 0.00 0.67 1.18 0.62 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 42 E 9.04 4.72 0.00 2.06 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.34 0.00 43 E 8.87 4.28 0.00 2.06 1.97 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 2.36 2.58 0.00 44 G 9.20 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 0.00 0.00 0.00 45 Q 7.99 4.10 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.95 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 46 A 8.66 4.70 1.27 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 0.00 0.00 0.00 47 V 8.97 5.09 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 0.67 0.00 0.00 1.01 0.00 0.00 48 S 8.89 5.38 0.00 3.83 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 49 F 8.67 5.57 0.00 3.10 3.14 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 50 E 9.20 4.89 0.00 2.03 2.02 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 2.32 2.28 0.00 51 I 8.30 5.01 1.94 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.84 1.04 0.00 0.00 52 V 8.98 4.62 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 0.79 0.00 0.00 1.00 0.00 0.00 53 Q 8.73 4.88 0.00 1.90 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 54 G 8.44 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 0.00 0.00 0.00 0.00 55 N 8.70 4.33 0.00 2.79 2.94 0.00 0.00 5.86 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.62 4.11 0.00 1.63 1.80 0.00 3.24 0.00 0.00 3.13 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.37 0.00 57 G 7.86 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.11 0.00 2.15 2.11 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 2.04 2.01 0.00 59 Q 9.12 4.90 0.00 2.27 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.00 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 60 A 8.75 4.96 1.08 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 61 A 8.95 4.55 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 N 8.60 4.21 0.00 2.90 2.82 0.00 0.00 6.61 7.71 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 63 V 7.79 4.31 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 0.82 0.00 0.00 0.91 0.00 0.00 64 V 8.69 4.63 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 0.99 0.00 0.00 0.93 0.00 0.00 65 K 8.62 4.40 0.00 1.66 1.72 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.42 7.81 66 L 8.41 4.27 0.00 1.56 1.58 0.92 0.91 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