NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8248 8.1976 109.7370 43.8672 0.0000 174.0822 4 I 3.1352 8.9528 112.0010 61.1868 38.3501 173.8098 5 R 5.2992 8.3740 121.9277 54.1324 30.3403 176.9649 6 E 4.1567 7.7596 119.1383 56.5886 31.4306 178.8763 7 K 4.4634 8.5374 121.7252 56.8117 33.6681 175.7910 8 I 4.2647 8.1962 117.2161 60.4152 41.8859 172.7376 9 K 5.1536 8.9358 127.8857 55.2565 35.0277 175.5134 10 L 5.6244 9.1798 124.3686 52.6911 42.9524 176.2691 11 V 4.3745 8.4466 124.4662 62.6276 33.2105 174.6297 12 S 4.3202 8.2812 119.6264 57.3041 62.4708 174.5064 13 S 4.3004 8.5979 122.1926 61.1383 62.9796 175.1290 14 A 4.1200 7.8735 122.9379 51.4458 18.7390 178.2584 15 G 3.5185 8.7043 109.3279 48.7794 0.0000 174.3967 16 T 3.9209 7.0843 112.9443 62.4840 67.6341 173.7408 17 G 3.9132 8.4244 112.7983 45.7672 0.0000 173.6131 18 H 4.5031 7.9708 121.2290 57.2080 31.0381 173.6613 19 F 5.2153 7.7112 116.3038 56.7348 40.7130 171.9865 20 Y 4.3785 9.0755 116.9057 56.3078 41.5057 174.8679 21 T 5.0798 8.1567 114.1332 61.1605 70.6979 172.4871 22 T 4.6331 9.0901 122.3320 61.9593 71.5458 171.5835 23 T 5.1040 8.3813 112.4247 60.0841 71.5706 173.2417 24 K 4.5630 8.7679 122.4007 54.6899 36.6100 175.0768 25 N 5.2714 8.1089 120.2700 51.3761 38.2831 174.6643 26 K 3.9390 8.0100 123.2594 59.7339 32.8973 178.1185 27 R 3.9765 7.2550 114.3451 59.0091 30.0224 177.0945 28 T 4.6175 8.5131 103.7548 60.7044 70.7809 173.8559 29 K 5.4986 7.4347 120.2947 54.2017 32.2521 175.8848 30 P 4.4709 0.0000 0.0000 62.8408 31.2958 176.4452 31 E 4.4497 8.3899 118.8353 54.0885 30.2664 175.0228 32 K 4.2517 8.7745 123.6637 56.8980 32.5593 176.4731 33 L 4.4268 8.6641 128.6673 54.8451 42.7417 175.9102 34 E 5.6322 8.8283 122.3397 54.4214 32.3195 174.9834 35 L 4.4344 8.7959 117.2829 54.8122 45.0677 171.5771 36 K 4.8249 8.4217 126.8748 55.8910 32.3405 174.6456 37 K 4.4222 8.7322 124.2598 55.4649 34.9673 174.0341 38 F 5.0656 8.8294 122.6662 57.7430 40.8049 176.2552 39 D 4.7742 7.2718 126.8948 50.4621 40.5318 174.1895 40 P 3.9582 0.0000 0.0000 65.2540 31.7812 178.3807 41 V 3.6270 7.6721 116.5649 65.6625 31.5007 176.8775 42 V 3.8687 8.0953 116.9033 62.4646 31.7253 175.5485 43 R 3.8819 7.9420 117.2573 56.9926 28.1018 175.9398 44 Q 4.8984 7.4424 113.9812 54.7364 33.6534 174.0456 45 H 5.0085 9.3736 121.5447 56.5567 29.5448 174.8586 46 V 4.5693 8.4857 122.7772 60.0299 35.4773 174.2981 47 I 4.4726 8.0963 120.1257 61.3616 38.7911 174.8731 48 Y 5.0252 8.6468 122.5655 56.4044 41.3031 174.2559 49 K 5.0890 8.6413 127.2060 55.9894 36.1005 172.2700 50 E 3.7874 9.1169 124.7720 57.1502 27.8628 174.4931 51 A 4.3079 8.4708 122.9258 52.9086 20.4528 176.3129 52 K 4.9224 7.9223 120.0221 56.2162 31.8001 175.0139 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 3 G 8.20 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 0.00 0.00 0.00 4 I 8.95 3.14 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 1.42 0.65 0.91 0.00 0.00 5 R 8.37 5.30 0.00 1.79 1.92 0.00 3.31 0.00 0.00 3.08 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 6 E 7.76 4.16 0.00 1.97 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 2.41 2.43 0.00 7 K 8.54 4.46 0.00 1.66 1.81 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.40 7.81 8 I 8.20 4.26 1.90 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 1.31 1.61 0.95 0.00 0.00 9 K 8.94 5.15 0.00 2.12 1.93 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.30 7.81 10 L 9.18 5.62 0.00 1.72 1.82 1.04 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.45 4.37 2.16 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 0.97 0.00 0.00 0.96 0.00 0.00 12 S 8.28 4.32 0.00 4.03 3.89 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 13 S 8.60 4.30 0.00 3.84 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 14 A 7.87 4.12 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 15 G 8.70 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.08 3.92 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 1.33 0.00 0.00 17 G 8.42 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 18 H 7.97 4.50 0.00 3.27 3.42 0.00 5.63 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 19 F 7.71 5.22 0.00 3.24 2.97 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 20 Y 9.08 4.38 0.00 2.57 2.71 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 21 T 8.16 5.08 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 1.14 0.00 0.00 22 T 9.09 4.63 4.25 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 1.23 0.00 0.00 23 T 8.38 5.10 4.25 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 1.22 0.00 0.00 24 K 8.77 4.56 0.00 1.83 1.64 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.34 1.39 7.81 25 N 8.11 5.27 0.00 2.73 2.66 0.00 0.00 6.46 6.75 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 26 K 8.01 3.94 0.00 1.87 1.84 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.57 7.81 27 R 7.26 3.98 0.00 2.09 2.02 0.00 3.32 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 28 T 8.51 4.62 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 1.26 0.00 0.00 29 K 7.43 5.50 0.00 1.76 1.74 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.45 1.47 7.81 30 P 0.00 4.47 0.00 2.04 2.07 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.31 0.00 31 E 8.39 4.45 0.00 2.08 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 2.21 2.40 0.00 32 K 8.77 4.25 0.00 1.65 1.87 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.55 7.81 33 L 8.66 4.43 0.00 1.64 1.72 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.83 5.63 0.00 1.98 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 2.31 2.15 0.00 35 L 8.80 4.43 0.00 1.72 1.76 0.84 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.42 4.82 0.00 2.00 2.08 0.00 1.76 0.00 0.00 2.39 0.00 0.00 2.81 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.45 7.81 37 K 8.73 4.42 0.00 1.26 1.18 0.00 1.02 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 1.19 7.81 38 F 8.83 5.07 0.00 2.85 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 39 D 7.27 4.77 0.00 2.72 2.32 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 0.00 40 P 0.00 3.96 0.00 1.95 2.11 0.00 2.98 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.09 0.00 41 V 7.67 3.63 2.26 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 0.74 0.00 0.00 0.94 0.00 0.00 42 V 8.10 3.87 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 0.80 0.00 0.00 0.96 0.00 0.00 43 R 7.94 3.88 0.00 1.99 2.14 0.00 3.53 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 44 Q 7.44 4.90 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.49 7.08 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 45 H 9.37 5.01 0.00 3.10 3.39 0.00 5.84 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.49 4.57 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 0.44 0.00 0.00 0.85 0.00 0.00 47 I 8.10 4.47 1.82 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 1.34 0.57 0.92 0.00 0.00 48 Y 8.65 5.03 0.00 2.89 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 49 K 8.64 5.09 0.00 1.90 1.69 0.00 1.70 0.00 0.00 1.61 0.00 0.00 3.24 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.42 7.81 50 E 9.12 3.79 0.00 2.14 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 0.00 2.21 2.55 0.00 51 A 8.47 4.31 1.32 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 0.00 0.00 0.00 52 K 7.92 4.92 0.00 1.84 2.06 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.47 7.81