NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.6370 8.3344 115.4352 58.8817 64.3101 171.4053 8 S 4.2643 7.8899 113.5703 57.4301 64.7014 172.1308 9 A 4.4807 9.2956 124.6861 52.0847 19.4848 177.2018 10 C 5.0257 7.7452 114.4950 55.6225 42.8561 173.2440 11 C 4.4238 8.4760 120.0423 56.6865 40.6301 173.7350 12 F 4.7532 8.3335 120.5985 57.8831 40.5014 175.4506 13 A 4.4249 7.5205 120.7759 50.8122 21.9478 174.4598 14 Y 5.1963 7.9590 117.0157 55.7028 40.3234 176.1201 15 I 3.7908 8.7073 124.6128 61.4874 38.5470 176.0094 16 A 4.2511 8.6978 129.7492 53.9355 18.7602 177.3967 17 R 4.6034 7.5140 113.9369 53.4021 33.0415 173.3596 18 P 2.9700 0.0000 0.0000 61.4215 31.7371 176.4278 19 L 3.9570 6.2918 121.9539 53.4000 42.5380 175.4103 20 P 4.1727 0.0000 0.0000 62.5299 32.1690 177.3090 21 R 3.1793 8.6510 122.5196 59.2400 29.9934 178.1761 22 A 4.1135 7.7673 118.6401 54.5336 18.6713 177.5449 23 H 4.4966 8.2787 112.4956 56.6231 29.3016 175.0103 24 I 4.4791 7.4087 121.4092 60.6035 37.7447 175.3283 25 K 4.5100 9.1517 125.0599 58.0455 33.9470 175.9585 26 E 5.0113 8.0335 117.0986 56.0806 34.3942 173.3664 27 Y 5.2529 8.1247 117.4024 56.5999 40.8453 173.6353 28 F 4.4814 8.2467 114.1564 56.2278 41.6759 172.4577 29 Y 5.0746 8.5913 117.3398 56.8819 39.5533 175.8526 30 T 4.5394 8.3044 112.9109 60.7253 70.6490 174.3189 31 S 4.1901 8.7772 116.3038 58.5381 62.6933 175.0202 32 G 3.8648 8.6117 114.7677 47.0622 0.0000 174.5244 33 K 4.1694 7.8138 119.2518 58.7848 32.4966 177.3472 34 C 4.4493 7.9122 116.0725 56.9234 40.6026 174.2883 35 S 4.0994 8.8246 117.8421 60.4240 62.9370 174.1657 36 N 5.0515 7.9240 118.0307 50.2682 40.3116 172.6161 37 P 4.4890 0.0000 0.0000 62.9513 32.6491 175.2505 38 A 4.7580 8.2154 120.2037 51.2034 22.8012 174.8126 39 V 4.3333 8.2140 119.9680 60.8832 34.2774 174.5780 40 V 4.4259 8.1227 127.5726 60.9636 33.8340 173.9976 41 F 5.2885 8.9569 126.9807 56.0258 41.4104 174.8219 42 V 4.8081 9.0100 124.5205 62.0003 32.9834 175.6200 43 T 4.9302 8.7582 118.7586 60.1111 70.9471 175.8662 44 R 3.8794 8.8185 121.2518 59.1197 30.0677 178.0856 45 K 4.4215 7.9599 114.5888 55.8526 32.2273 175.5152 46 N 4.2424 8.1043 115.2723 54.7463 37.9093 174.2280 47 R 4.4918 7.8458 114.2348 55.0780 32.3389 175.9888 48 Q 4.9376 8.6548 120.3314 54.5147 30.7915 174.9949 49 V 4.3516 8.8659 125.9016 61.3371 33.5183 174.2265 50 C 5.0808 8.8596 125.4814 56.7433 40.0147 172.5075 51 A 5.2012 8.9150 124.0816 49.9443 23.1094 174.8529 52 N 3.4665 8.2077 118.8360 51.8036 38.9369 174.3127 53 P 4.1751 0.0000 0.0000 64.9002 31.4412 177.1148 54 E 4.0725 8.0714 118.3546 58.2384 29.9354 177.5452 55 K 3.8752 7.5086 118.6976 56.1503 32.5857 177.8185 56 K 3.8899 8.6639 124.3366 59.1614 32.4687 178.6193 57 W 4.2277 8.0137 116.2845 59.2535 27.8424 178.4795 58 V 2.9134 6.4857 118.7522 65.3609 30.7151 177.3254 59 R 4.3413 7.1875 114.3108 56.5563 30.0961 176.7546 60 E 4.7023 7.8612 116.4865 55.7737 31.3496 177.1960 61 Y 4.3984 7.8137 116.4189 60.2034 38.1222 177.6453 62 I 3.5163 7.5170 121.3252 64.3496 37.2901 178.0198 63 N 4.3458 8.0657 116.7951 56.3512 38.2227 177.1609 64 S 4.1977 7.9995 113.0091 60.1784 62.5218 174.9790 65 L 4.7948 7.9373 119.7118 54.4809 42.2964 176.2771 66 E 4.7936 8.0858 115.0900 55.8470 30.7818 176.2405 67 M 4.1424 8.3028 120.7855 59.0074 32.5447 176.1735 68 S 4.3364 7.9923 118.0533 58.7540 63.0083 173.7801 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 7 S 8.33 4.64 0.00 4.03 4.04 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 0.00 0.00 0.00 0.00 8 S 7.89 4.26 0.00 4.11 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 9 A 9.30 4.48 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 10 C 7.75 5.03 0.00 2.96 3.01 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 11 C 8.48 4.42 0.00 2.97 2.95 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 12 F 8.33 4.75 0.00 2.97 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 13 A 7.52 4.42 1.19 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 0.00 0.00 0.00 14 Y 7.96 5.20 0.00 3.05 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 15 I 8.71 3.79 2.04 0.00 0.00 0.89 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 0.81 1.28 0.00 0.00 16 A 8.70 4.25 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 17 R 7.51 4.60 0.00 1.67 1.64 0.00 3.19 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.48 0.00 18 P 0.00 2.97 0.00 1.33 0.49 0.00 3.37 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.09 0.00 19 L 6.29 3.96 0.00 1.46 1.50 1.02 1.02 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 20 P 0.00 4.17 0.00 1.62 1.80 0.00 3.31 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.88 0.00 21 R 8.65 3.18 0.00 1.37 1.69 0.00 2.99 0.00 0.00 3.08 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.83 0.00 22 A 7.77 4.11 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 23 H 8.28 4.50 0.00 3.33 3.35 0.00 5.81 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.41 4.48 1.89 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.37 1.11 0.00 0.00 25 K 9.15 4.51 0.00 1.81 1.89 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.57 7.81 26 E 8.03 5.01 0.00 1.98 1.86 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 2.36 2.38 0.00 27 Y 8.12 5.25 0.00 2.49 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 28 F 8.25 4.48 0.00 2.97 2.91 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 29 Y 8.59 5.07 0.00 2.94 2.96 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 30 T 8.30 4.54 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 1.34 0.00 0.00 31 S 8.78 4.19 0.00 3.91 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.61 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 33 K 7.81 4.17 0.00 1.83 1.90 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.42 7.81 34 C 7.91 4.45 0.00 3.14 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 35 S 8.82 4.10 0.00 4.01 4.04 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 0.00 0.00 0.00 0.00 36 N 7.92 5.05 0.00 2.90 2.87 0.00 0.00 6.93 8.02 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 37 P 0.00 4.49 0.00 2.21 2.08 0.00 3.92 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 38 A 8.22 4.76 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 39 V 8.21 4.33 1.57 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 -0.15 0.00 0.00 0.64 0.00 0.00 40 V 8.12 4.43 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.64 0.00 0.00 41 F 8.96 5.29 0.00 3.20 3.02 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 42 V 9.01 4.81 2.21 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 1.00 0.00 0.00 1.14 0.00 0.00 43 T 8.76 4.93 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 1.35 0.00 0.00 44 R 8.82 3.88 0.00 1.77 2.04 0.00 2.99 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 45 K 7.96 4.42 0.00 1.75 1.82 0.00 1.90 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.40 7.81 46 N 8.10 4.24 0.00 2.84 2.89 0.00 0.00 7.05 8.20 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 47 R 7.85 4.49 0.00 1.88 1.87 0.00 3.16 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 48 Q 8.65 4.94 0.00 1.95 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 49 V 8.87 4.35 2.31 0.00 0.00 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 1.03 0.00 0.00 50 C 8.86 5.08 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 51 A 8.92 5.20 1.26 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 0.00 0.00 0.00 52 N 8.21 3.47 0.00 1.77 2.28 0.00 0.00 6.75 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 53 P 0.00 4.18 0.00 2.16 2.13 0.00 3.41 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.96 0.00 54 E 8.07 4.07 0.00 1.95 1.96 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 2.25 2.22 0.00 55 K 7.51 3.88 0.00 1.34 1.43 0.00 1.78 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.30 1.52 7.81 56 K 8.66 3.89 0.00 1.70 1.87 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.43 7.81 57 W 8.01 4.23 0.00 3.14 3.10 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 58 V 6.49 2.91 1.62 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 0.70 0.00 0.00 -0.69 0.00 0.00 59 R 7.19 4.34 0.00 1.70 1.88 0.00 3.07 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 60 E 7.86 4.70 0.00 2.15 2.36 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 2.72 2.48 0.00 61 Y 7.81 4.40 0.00 2.88 3.03 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 0.00 0.00 0.00 0.00 62 I 7.52 3.52 1.68 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.55 0.62 0.00 0.00 63 N 8.07 4.35 0.00 2.79 2.89 0.00 0.00 6.67 7.57 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 64 S 8.00 4.20 0.00 4.09 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 65 L 7.94 4.79 0.00 1.96 1.89 1.26 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.09 4.79 0.00 2.12 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 0.00 2.58 2.27 0.00 67 M 8.30 4.14 0.00 2.00 2.28 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.65 0.00 68 S 7.99 4.34 0.00 3.93 3.78 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