NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.2379 8.3645 123.5825 51.3161 20.3669 178.7107 1 N 4.7114 8.7404 116.4426 49.5340 38.4305 176.0963 2 Q 4.5596 8.0038 122.4793 55.2149 32.0038 176.4210 3 A 4.8635 8.5634 125.6630 51.0537 21.1862 176.0179 4 S 5.1989 8.9298 116.6950 56.2658 67.4182 173.5335 5 V 4.3312 8.3906 122.0032 62.8864 32.4813 174.9772 6 V 4.8720 8.5991 127.4028 60.4656 34.8523 174.3149 7 A 4.4112 8.9324 129.7975 52.9492 18.5338 177.5168 8 N 4.5959 9.2690 122.5767 55.2871 39.9003 174.3214 9 Q 4.6244 7.7211 114.4264 54.2834 32.2369 173.9853 10 L 4.1727 8.5111 121.7100 55.5764 42.8958 175.9254 11 I 4.4106 8.4405 127.2598 58.9897 38.8241 173.7668 12 P 4.6705 0.0000 0.0000 61.7972 31.9893 176.3136 13 I 3.5977 8.4909 121.7296 62.3242 39.0681 175.2936 14 N 4.7705 8.5213 123.9031 54.9773 36.5075 174.4036 15 T 4.7203 7.2683 112.5114 61.3070 71.9097 174.4441 16 A 4.5439 8.6684 128.3288 51.9232 19.4466 176.9725 17 L 4.3218 9.1546 122.8930 54.8572 43.0321 176.4952 18 T 4.8897 8.2781 112.4619 59.5830 72.0090 175.2924 19 L 4.0175 8.5215 121.8098 57.7256 41.8631 179.8807 20 V 3.8126 7.6968 110.4531 63.5933 31.8127 176.7214 21 M 4.3034 8.1684 119.0987 56.2554 32.3562 175.3273 22 M 5.3015 7.8302 118.4669 53.3235 35.1533 175.0415 23 R 4.7763 8.8560 118.9576 54.3605 33.6359 173.8132 24 S 5.1954 8.1731 112.6267 56.7706 65.3022 172.6109 25 E 4.7139 8.6856 123.6905 55.2589 33.5964 174.2389 26 V 4.4015 8.3540 126.5943 61.8821 32.1778 175.5041 27 V 4.5927 8.1980 119.8225 60.3161 35.7081 173.7764 28 T 4.6886 7.9814 110.5684 58.8727 71.5554 172.1207 29 P 4.3017 0.0000 0.0000 62.7980 32.0045 176.4459 30 V 3.8849 8.2231 120.3318 62.9770 32.8986 176.2164 31 G 4.2954 8.1960 113.6221 45.7755 0.0000 173.1201 32 I 4.0874 8.5816 125.4432 60.3173 38.1902 174.2055 33 P 4.7396 0.0000 0.0000 63.1202 31.6949 177.0722 34 A 3.9667 8.9701 125.6880 55.5603 18.5737 179.7371 35 E 3.9822 8.2483 114.0381 59.8335 29.6623 178.2127 36 D 4.7256 8.4247 116.7292 54.5883 40.8159 178.0403 37 I 3.7022 7.8812 123.0097 64.2792 36.9422 176.0652 38 P 4.2274 0.0000 0.0000 66.0273 29.9771 178.1563 39 R 4.0765 7.8720 117.2874 59.3679 29.9680 178.5397 40 L 4.2702 7.9441 118.5826 56.0145 41.5464 177.5198 41 V 3.8171 6.4358 116.4707 64.8819 31.6719 175.8113 42 S 4.4512 9.1789 123.4678 58.7250 62.4030 169.4354 43 M 4.4436 8.0333 119.4750 55.3631 33.2429 175.3692 44 Q 5.2277 8.5648 118.7696 54.1694 32.7232 175.1033 45 V 4.6714 7.8016 121.7919 60.8300 33.3801 177.0418 46 S 4.5354 9.2088 118.1082 60.2598 64.1781 173.6453 47 R 4.8781 7.6847 115.0461 54.0701 32.7161 174.6220 48 A 4.2188 8.6090 122.2145 52.2907 19.2630 177.1365 49 V 4.2483 8.9417 124.2466 60.3109 32.8836 173.5855 50 P 4.7273 0.0000 0.0000 62.1087 32.6750 175.5824 51 L 3.8604 8.4586 122.4252 57.2855 42.1888 177.4570 52 G 4.0227 8.9331 114.2812 45.5008 0.0000 173.8051 53 T 4.1375 7.4618 117.4903 63.4175 69.5287 174.4127 54 T 4.4034 8.4495 123.3767 63.5865 69.3688 174.0498 55 L 4.2173 8.9885 127.1923 54.7793 42.8985 176.2851 56 M 4.8489 8.3902 122.4452 52.5787 35.0215 174.9091 57 P 3.8537 0.0000 0.0000 65.9161 31.5606 177.9051 58 D 4.7329 8.0465 113.5141 54.4529 39.5457 176.2905 59 M 4.4056 8.2181 119.1684 54.5377 32.9706 175.3905 60 V 4.6473 7.3924 119.7034 60.5232 33.4057 174.7103 61 K 4.1821 9.0722 128.0019 57.5677 32.3928 177.5181 62 G 3.9369 9.0667 111.5537 45.3983 0.0000 172.2465 63 Y 4.3771 7.4165 119.4360 56.4559 39.5681 174.6890 64 A 4.2602 7.4706 128.3327 50.4825 22.3574 175.6831 65 A 3.8056 8.1502 124.2120 52.2116 18.7788 177.2206 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 0 A 8.36 4.24 1.23 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 1 N 8.74 4.71 0.00 2.82 2.65 0.00 0.00 6.59 6.57 0.00 0.00 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 Q 8.00 4.56 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 3 A 8.56 4.86 1.23 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 4 S 8.93 5.20 0.00 3.68 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 5 V 8.39 4.33 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 0.94 0.00 0.00 0.92 0.00 0.00 6 V 8.60 4.87 2.07 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 0.95 0.00 0.00 0.92 0.00 0.00 7 A 8.93 4.41 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 8 N 9.27 4.60 0.00 2.71 2.98 0.00 0.00 7.05 6.62 0.00 0.00 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 Q 7.72 4.62 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.68 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 10 L 8.51 4.17 0.00 1.67 1.62 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.44 4.41 1.86 0.00 0.00 0.84 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 0.64 0.90 0.00 0.00 12 P 0.00 4.67 0.00 1.93 1.97 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 13 I 8.49 3.60 1.87 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 1.34 1.34 0.91 0.00 0.00 14 N 8.52 4.77 0.00 2.87 2.85 0.00 0.00 6.77 7.04 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 15 T 7.27 4.72 4.39 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 1.21 0.00 0.00 16 A 8.67 4.54 1.25 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 0.00 0.00 17 L 9.15 4.32 0.00 1.73 1.59 0.97 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.28 4.89 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 19 L 8.52 4.02 0.00 1.73 1.76 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.70 3.81 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 0.70 0.00 0.00 0.99 0.00 0.00 21 M 8.17 4.30 0.00 2.07 2.21 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 2.59 2.50 0.00 22 M 7.83 5.30 0.00 1.87 1.92 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 2.50 2.42 0.00 23 R 8.86 4.78 0.00 1.84 2.01 0.00 2.70 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.52 0.00 24 S 8.17 5.20 0.00 3.85 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 25 E 8.69 4.71 0.00 2.04 1.70 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 2.16 2.20 0.00 26 V 8.35 4.40 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 0.98 0.00 0.00 0.97 0.00 0.00 27 V 8.20 4.59 2.07 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 0.75 0.00 0.00 0.92 0.00 0.00 28 T 7.98 4.69 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 29 P 0.00 4.30 0.00 2.05 2.05 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 30 V 8.22 3.88 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 0.78 0.00 0.00 1.00 0.00 0.00 31 G 8.20 4.30 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 0.00 0.00 0.00 32 I 8.58 4.09 1.78 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.63 0.75 0.00 0.00 33 P 0.00 4.74 0.00 2.14 2.22 0.00 3.80 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.06 0.00 34 A 8.97 3.97 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 35 E 8.25 3.98 0.00 1.97 2.06 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 2.33 2.42 0.00 36 D 8.42 4.73 0.00 2.95 2.81 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 0.00 0.00 0.00 37 I 7.88 3.70 1.95 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 0.97 0.91 0.00 0.00 38 P 0.00 4.23 0.00 2.03 2.16 0.00 3.86 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.19 0.00 39 R 7.87 4.08 0.00 1.87 2.17 0.00 3.08 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 40 L 7.94 4.27 0.00 1.91 1.70 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 41 V 6.44 3.82 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 0.76 0.00 0.00 0.99 0.00 0.00 42 S 9.18 4.45 0.00 4.01 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 M 8.03 4.44 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.56 0.00 44 Q 8.56 5.23 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.96 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 45 V 7.80 4.67 2.06 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 0.87 0.00 0.00 0.97 0.00 0.00 46 S 9.21 4.54 0.00 3.90 4.16 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 47 R 7.68 4.88 0.00 1.77 1.88 0.00 3.03 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 48 A 8.61 4.22 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 49 V 8.94 4.25 2.06 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 0.95 0.00 0.00 0.95 0.00 0.00 50 P 0.00 4.73 0.00 2.14 2.16 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 51 L 8.46 3.86 0.00 1.61 1.64 0.92 1.21 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 52 G 8.93 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 53 T 7.46 4.14 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 1.19 0.00 0.00 54 T 8.45 4.40 4.22 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 1.24 0.00 0.00 55 L 8.99 4.22 0.00 1.47 1.46 0.85 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 56 M 8.39 4.85 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.43 0.00 57 P 0.00 3.85 0.00 2.26 2.43 0.00 3.57 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.11 0.00 58 D 8.05 4.73 0.00 2.80 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 M 8.22 4.41 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.39 0.00 60 V 7.39 4.65 2.03 0.00 0.00 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 0.79 0.00 0.00 61 K 9.07 4.18 0.00 1.76 1.75 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.48 1.50 7.81 62 G 9.07 3.94 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 0.00 0.00 0.00 63 Y 7.42 4.38 0.00 2.92 2.86 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 64 A 7.47 4.26 1.05 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 0.00 0.00 65 A 8.15 3.81 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