NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3300 8.1927 115.3874 57.8384 64.7355 174.0757 2 I 3.2663 8.2091 123.3311 62.4961 37.7966 176.8336 3 S 4.1622 8.0664 116.0627 61.0869 63.2289 175.1606 4 S 4.0302 8.0978 116.7849 61.2604 61.8990 176.0851 5 R 3.8985 7.7943 120.0266 59.5964 29.2409 179.3831 6 V 3.8115 7.8133 117.6519 65.8969 31.4482 177.7728 7 K 3.9791 8.5161 120.0831 59.5834 32.1439 178.9716 8 S 4.1836 8.6491 115.7205 61.5469 62.7599 176.8590 9 K 4.0744 8.7828 122.8512 59.2885 31.8761 178.8424 10 R 3.9037 7.6070 119.5210 59.5032 29.8088 178.4138 11 I 3.6791 7.6438 118.2020 64.4360 37.2038 177.6460 12 Q 4.1367 8.1532 119.2668 59.5589 28.9646 178.5429 13 L 4.1652 8.0567 118.6388 55.7757 41.5933 178.4903 14 G 3.9133 8.0975 105.7312 45.4474 0.0000 172.9106 15 L 4.4060 7.4823 118.5388 53.3023 42.9672 176.5660 16 N 4.7342 8.9339 120.6133 52.4069 39.6705 175.9971 17 Q 4.0402 8.8069 117.3177 59.4971 28.4454 179.5793 18 A 3.9620 7.8916 121.0859 55.3122 18.5715 179.3575 19 E 3.9246 8.0784 116.2981 59.1892 29.5275 179.0295 20 L 3.9110 8.0196 120.1906 58.2515 42.1384 178.6226 21 A 3.9498 8.1097 120.5957 55.4621 18.2856 179.3658 22 Q 3.8677 8.1131 117.5864 59.2702 28.9215 178.5564 23 K 3.9450 8.1013 118.5517 59.6267 32.2480 179.3679 24 V 3.8102 7.9966 117.0350 63.6389 31.3723 176.4247 25 G 3.8968 7.6884 105.6889 46.7677 0.0000 173.9872 26 T 4.4128 7.4372 116.5096 61.0323 68.3610 174.0819 27 T 4.6910 7.7415 108.5998 59.2399 73.3526 174.2615 28 Q 3.9425 8.5605 122.3887 59.3702 29.0098 178.4902 29 Q 3.8978 7.9921 119.9808 59.3263 29.1026 177.9939 30 S 4.1523 8.0784 115.5330 62.1000 62.9133 176.7928 31 I 3.7818 7.7104 121.9981 64.3454 36.7381 178.0248 32 E 3.9070 8.6130 120.7584 59.3943 29.4965 178.8294 33 Q 4.0078 8.1964 117.6323 59.2590 28.4782 178.3864 34 L 4.0375 8.2848 123.8141 57.2894 41.7072 178.4092 35 E 3.9424 8.7364 119.6454 59.5358 29.4122 178.3906 36 N 4.5769 8.1527 114.3111 54.3872 38.5657 175.8901 37 G 3.9073 7.9936 108.6770 45.5779 0.0000 174.8407 38 K 4.0709 8.2960 123.7243 58.4553 32.6110 177.3791 39 T 4.5330 7.6756 114.8715 62.1306 70.0970 174.3267 40 K 4.2050 8.6323 123.7268 57.6031 34.6987 176.8154 41 R 4.6253 7.5329 115.1124 54.3952 30.1095 173.4925 42 P 4.4096 0.0000 0.0000 62.5208 32.5477 178.2640 43 R 3.9801 8.7166 119.8935 59.1614 30.3265 177.1897 44 F 4.8293 8.0412 111.8405 56.8430 38.6758 177.5481 45 L 3.6896 7.5839 123.8235 58.8685 41.7653 176.7828 46 P 4.3434 0.0000 0.0000 65.6753 31.1144 178.2325 47 E 3.9569 8.1654 118.0530 59.2080 29.4811 178.5208 48 L 4.0268 8.2212 120.1956 58.2757 42.0397 178.6981 49 A 4.0457 8.3677 120.8709 55.4325 18.0704 179.8524 50 S 4.0140 8.3026 112.2031 61.7054 63.0694 176.3972 51 A 4.1618 8.0763 122.2659 55.2716 18.2267 179.3709 52 L 4.0691 8.0361 116.6865 56.3069 42.9603 177.4976 53 G 3.5965 8.8935 104.1795 45.6203 0.0000 172.6660 54 V 4.2497 6.8456 109.2949 58.3058 36.5550 176.6625 55 S 4.3801 8.2616 116.5707 58.0024 65.0294 175.3035 56 V 3.6207 8.3941 122.6396 66.5845 31.1591 178.0176 57 D 4.3894 8.1591 117.8318 57.1241 40.1971 178.4181 58 W 4.3386 8.5299 128.9263 60.7608 30.5307 178.0991 59 L 4.0103 8.1794 117.4053 58.1055 41.0578 178.3859 60 L 3.9771 8.4758 120.8597 56.9670 42.0097 177.4871 61 N 4.7623 10.3935 119.1305 50.6440 40.0009 173.4306 62 G 3.1346 6.8054 123.4556 44.6093 0.0000 172.5060 63 T 4.2431 8.1807 121.0629 61.8141 67.7124 173.5293 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 S 8.19 4.33 0.00 3.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.21 3.27 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.87 0.86 0.00 0.00 3 S 8.07 4.16 0.00 4.09 4.14 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 4 S 8.10 4.03 0.00 3.86 4.07 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 0.00 0.00 0.00 0.00 5 R 7.79 3.90 0.00 1.76 1.46 0.00 2.21 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.24 0.00 6 V 7.81 3.81 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 1.01 0.00 0.00 0.99 0.00 0.00 7 K 8.52 3.98 0.00 1.86 1.78 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.64 7.81 8 S 8.65 4.18 0.00 3.99 3.97 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 0.00 0.00 0.00 9 K 8.78 4.07 0.00 2.34 1.92 0.00 1.55 0.00 0.00 1.83 0.00 0.00 2.72 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.42 7.81 10 R 7.61 3.90 0.00 2.36 1.97 0.00 3.31 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.72 0.00 11 I 7.64 3.68 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.95 0.93 0.00 0.00 12 Q 8.15 4.14 0.00 2.22 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 13 L 8.06 4.17 0.00 1.84 1.72 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.10 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 15 L 7.48 4.41 0.00 1.66 1.61 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.93 4.73 0.00 2.92 2.77 0.00 0.00 7.31 7.97 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 17 Q 8.81 4.04 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.94 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 18 A 7.89 3.96 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 19 E 8.08 3.92 0.00 2.07 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 2.40 2.43 0.00 20 L 8.02 3.91 0.00 1.80 1.86 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.11 3.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.11 3.87 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 23 K 8.10 3.94 0.00 1.91 1.87 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.63 7.81 24 V 8.00 3.81 2.22 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 0.89 0.00 0.00 1.12 0.00 0.00 25 G 7.69 3.90 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 0.00 0.00 0.00 26 T 7.44 4.41 3.65 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 0.00 0.00 0.00 0.95 0.00 0.00 27 T 7.74 4.69 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 28 Q 8.56 3.94 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 29 Q 7.99 3.90 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 30 S 8.08 4.15 0.00 3.88 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 31 I 7.71 3.78 2.01 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 1.57 0.82 0.97 0.00 0.00 32 E 8.61 3.91 0.00 2.13 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 2.32 2.47 0.00 33 Q 8.20 4.01 0.00 2.36 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.62 0.00 0.00 0.00 0.00 0.00 2.66 2.48 0.00 34 L 8.28 4.04 0.00 2.15 1.89 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.74 3.94 0.00 2.20 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 0.00 2.33 2.39 0.00 36 N 8.15 4.58 0.00 2.87 2.87 0.00 0.00 7.61 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.99 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 38 K 8.30 4.07 0.00 1.86 1.87 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.41 7.81 39 T 7.68 4.53 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 40 K 8.63 4.21 0.00 1.61 1.72 0.00 1.56 0.00 0.00 1.59 0.00 0.00 3.04 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.40 7.81 41 R 7.53 4.63 0.00 1.71 1.77 0.00 3.31 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 42 P 0.00 4.41 0.00 1.22 1.79 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 43 R 8.72 3.98 0.00 1.95 2.11 0.00 3.32 0.00 0.00 3.43 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 44 F 8.04 4.83 0.00 3.20 3.21 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 45 L 7.58 3.69 0.00 1.74 1.64 0.91 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.34 0.00 2.32 2.31 0.00 3.82 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 2.10 2.07 0.00 47 E 8.17 3.96 0.00 2.34 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 2.49 2.44 0.00 48 L 8.22 4.03 0.00 1.89 1.86 1.05 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.37 4.05 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.30 4.01 0.00 3.96 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 51 A 8.08 4.16 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.04 4.07 0.00 1.75 1.72 1.10 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.89 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 6.85 4.25 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 1.06 0.00 0.00 55 S 8.26 4.38 0.00 4.10 4.01 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 56 V 8.39 3.62 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 0.95 0.00 0.00 0.95 0.00 0.00 57 D 8.16 4.39 0.00 2.87 2.76 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 58 W 8.53 4.34 0.00 3.43 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 59 L 8.18 4.01 0.00 2.01 1.74 1.01 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.48 3.98 0.00 1.60 1.79 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 61 N 10.39 4.76 0.00 2.66 2.62 0.00 0.00 7.35 7.79 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 62 G 6.81 3.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.18 4.24 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 1.31 0.00 0.00