NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4857 8.3344 116.7944 58.7749 64.3534 172.0316 2 T 4.4823 7.9720 114.2086 59.8104 70.4526 171.6313 3 L 4.6233 9.0787 127.6951 54.8882 44.2690 175.3694 4 F 5.2999 9.3217 119.9566 55.6762 42.6600 174.2747 5 E 5.3358 9.2969 118.7724 54.2396 33.1520 174.9144 6 A 4.5603 8.9652 124.3519 52.3737 18.9086 178.5803 7 L 4.0016 9.2055 123.4641 56.9765 42.2845 176.8298 8 Y 5.0863 7.6750 113.6233 56.0146 42.1749 174.9498 9 D 4.9222 9.0294 121.0037 55.3103 41.9836 175.4978 10 Y 4.6090 8.7227 122.2654 56.0779 42.4308 173.3120 11 E 4.5057 7.9249 125.5994 54.0341 31.1765 175.6443 12 A 3.8972 8.3209 126.9680 52.9889 18.3220 177.4113 13 R 4.3578 9.1293 119.9867 56.1294 32.3417 176.1749 14 T 4.7390 7.6568 106.6737 58.9932 71.7488 174.5540 15 E 4.0941 8.6624 119.3832 58.8661 29.9074 177.6185 16 D 4.7155 8.0032 118.4155 55.5258 41.6486 175.9905 17 D 5.3300 7.7771 118.7959 54.4604 41.5460 175.8917 18 L 4.8204 8.7980 121.5730 53.8744 43.2802 176.6960 19 S 4.8824 8.7040 118.3722 58.2493 64.4788 173.0979 20 F 5.0572 8.6083 116.5029 56.7509 41.7741 172.4420 21 H 5.5662 8.9330 115.8378 53.4179 31.9160 174.4177 22 K 4.2594 9.3383 122.2131 58.5609 32.3223 177.0861 23 G 4.0310 9.1069 115.2100 45.0502 0.0000 173.4680 24 E 3.9631 8.0608 121.5031 56.5328 30.6313 176.0684 25 K 4.9898 8.2793 125.1799 55.1684 35.0335 175.3152 26 F 5.2552 9.3147 120.8942 55.8493 43.6728 173.5799 27 Q 4.7033 8.9951 124.5735 55.3435 30.2540 174.5041 28 I 4.2882 8.4626 127.9388 61.1491 37.3890 175.5355 29 L 4.3552 8.7943 127.8569 56.4270 42.9759 177.0474 30 N 4.9143 7.6995 116.3964 51.8249 42.4027 174.7796 31 S 4.4354 8.4108 118.3624 57.8665 63.6768 174.2826 32 S 4.5900 8.7233 114.3344 58.9332 62.9940 174.2022 33 E 4.6485 8.3669 119.7947 56.4767 30.2700 176.1111 34 G 4.0113 8.2863 105.7014 44.2193 0.0000 173.5466 35 D 4.5439 9.0012 116.9025 56.6390 42.2513 176.2714 36 W 4.8291 8.5099 118.4986 55.3248 29.8461 176.3186 37 W 4.9907 8.7810 125.9654 55.9149 30.5069 175.4350 38 E 3.9718 8.9060 124.8921 55.6588 30.3186 175.2800 39 A 5.0928 9.1037 127.4892 50.7459 23.8895 174.3384 40 R 5.0459 9.0543 119.6428 54.4109 33.0040 174.8052 41 S 4.3300 9.0247 122.0607 58.3243 63.2219 174.2488 42 L 4.2958 8.5151 126.5443 56.1883 41.4214 177.9891 43 T 4.2000 7.8027 116.0548 65.5343 69.2340 175.8661 44 T 4.2172 7.9330 109.0117 61.1074 69.8307 176.0437 45 G 3.9701 8.3174 109.3085 45.2754 0.0000 173.6113 46 E 4.2302 8.0402 120.0233 56.4029 30.1916 175.7925 47 T 5.0309 7.9948 118.5871 61.7953 70.9061 174.6910 48 G 4.0247 8.1155 112.1610 46.1227 0.0000 170.9150 49 Y 5.2849 8.3177 117.0348 56.4964 40.3734 175.4291 50 I 4.7286 8.6979 116.1078 58.1297 41.7846 172.5305 51 P 2.9700 0.0000 0.0000 61.9416 31.4650 177.1613 52 S 2.8981 7.9986 120.7553 60.6688 62.6717 176.5504 53 I 3.6111 7.0916 119.4292 63.4332 37.9800 175.7657 54 Y 4.4865 7.9778 116.7543 58.8444 38.0542 174.5339 55 L 5.4367 7.5052 119.1871 52.8965 45.1769 175.5960 56 A 4.9238 8.9136 121.1963 49.5170 23.0134 174.0342 57 P 3.5167 0.0000 0.0000 63.5126 32.2395 177.2465 58 V 3.5860 8.2476 116.0648 61.7542 31.8504 171.4740 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 8.33 4.49 0.00 3.88 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.97 4.48 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 1.05 0.00 0.00 3 L 9.08 4.62 0.00 1.64 1.61 0.91 1.06 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 4 F 9.32 5.30 0.00 3.13 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 5 E 9.30 5.34 0.00 1.96 2.01 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 2.30 2.21 0.00 6 A 8.97 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 7 L 9.21 4.00 0.00 0.45 0.49 0.81 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 7.67 5.09 0.00 2.87 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 9 D 9.03 4.92 0.00 2.66 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.72 4.61 0.00 2.11 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.92 4.51 0.00 1.60 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 12 A 8.32 3.90 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 13 R 9.13 4.36 0.00 1.84 1.94 0.00 3.21 0.00 0.00 3.40 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 14 T 7.66 4.74 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 1.11 0.00 0.00 15 E 8.66 4.09 0.00 2.12 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 2.27 2.35 0.00 16 D 8.00 4.72 0.00 2.74 2.94 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 17 D 7.78 5.33 0.00 2.91 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.80 4.82 0.00 1.84 1.88 1.20 1.02 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 19 S 8.70 4.88 0.00 3.78 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 20 F 8.61 5.06 0.00 3.46 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 H 8.93 5.57 0.00 3.24 3.41 0.00 5.63 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 9.34 4.26 0.00 1.79 1.83 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.56 7.81 23 G 9.11 4.03 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 0.00 0.00 0.00 24 E 8.06 3.96 0.00 2.26 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 2.05 0.00 25 K 8.28 4.99 0.00 1.62 1.63 0.00 1.61 0.00 0.00 1.78 0.00 0.00 2.80 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.42 1.38 7.81 26 F 9.31 5.26 0.00 2.87 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 27 Q 9.00 4.70 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.96 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 28 I 8.46 4.29 1.68 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.55 0.42 0.00 0.00 29 L 8.79 4.36 0.00 1.50 1.65 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 30 N 7.70 4.91 0.00 2.65 2.54 0.00 0.00 6.70 7.63 0.00 0.00 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 S 8.41 4.44 0.00 3.08 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.72 4.59 0.00 3.98 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 33 E 8.37 4.65 0.00 2.16 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 2.28 2.48 0.00 34 G 8.29 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 0.00 0.00 0.00 35 D 9.00 4.54 0.00 3.02 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 W 8.51 4.83 0.00 3.19 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 37 W 8.78 4.99 0.00 3.04 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.91 3.97 0.00 1.44 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.47 0.00 39 A 9.10 5.09 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 R 9.05 5.05 0.00 1.85 1.79 0.00 3.11 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.75 0.00 41 S 9.02 4.33 0.00 4.03 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 42 L 8.52 4.30 0.00 1.42 1.62 0.89 0.93 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 43 T 7.80 4.20 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 1.22 0.00 0.00 44 T 7.93 4.22 4.28 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 1.25 0.00 0.00 45 G 8.32 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 0.00 0.00 0.00 46 E 8.04 4.23 0.00 2.11 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 2.37 2.48 0.00 47 T 7.99 5.03 4.26 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 1.22 0.00 0.00 48 G 8.12 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 49 Y 8.32 5.28 0.00 3.10 3.23 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 50 I 8.70 4.73 1.31 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 1.08 0.19 0.71 0.00 0.00 51 P 0.00 2.97 0.00 1.20 0.49 0.00 2.80 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.44 0.00 52 S 8.00 2.90 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.09 3.61 1.77 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 1.38 0.77 0.90 0.00 0.00 54 Y 7.98 4.49 0.00 3.17 3.23 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 55 L 7.51 5.44 0.00 1.42 1.67 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.91 4.92 1.15 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 0.00 0.00 0.00 0.00 0.00 57 P 0.00 3.52 0.00 1.71 1.51 0.00 3.64 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 1.93 1.87 0.00 58 V 8.25 3.59 2.01 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 0.46 0.00 0.00 0.86 0.00 0.00