NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.1711 8.4331 120.2212 54.8063 29.8095 174.0074 5 G 3.8822 7.5176 109.2348 42.6834 0.0000 168.5468 6 Y 4.9606 8.6455 118.7025 56.3716 39.8542 173.3676 7 Q 4.7182 9.2438 124.3667 54.8752 31.0355 175.0768 8 Y 5.5651 8.0131 121.0092 56.3511 42.2467 174.0504 9 R 5.1228 8.3293 119.1939 54.4364 33.3998 174.9740 10 A 4.2872 8.6633 127.2567 52.2994 18.3868 178.0555 11 L 4.1309 8.7464 123.1932 57.5971 42.6469 176.6617 12 Y 4.6593 8.0774 114.1084 55.9777 42.3290 174.1736 13 D 5.0275 8.4945 119.6130 52.0004 41.3178 175.1585 14 Y 5.1016 8.8003 123.5949 55.7235 42.4030 173.9517 15 K 4.5873 7.2423 123.3050 54.2032 33.9746 176.0135 16 K 3.9468 8.8448 127.0872 56.8121 30.4629 175.4039 17 E 4.1822 9.3275 125.5771 57.2660 30.8982 176.6109 18 R 4.1001 7.9593 116.8039 56.0389 31.1395 177.6358 19 E 4.1301 8.7381 121.6266 58.1441 30.0915 177.0938 20 E 4.2538 8.0571 118.7286 58.1856 30.3294 175.4279 21 D 5.8500 8.2296 118.1764 52.5638 41.6195 175.1344 22 I 4.9932 8.3624 111.8605 59.4598 40.8874 173.4020 23 D 4.9997 8.7529 121.7024 53.5662 41.8024 176.2977 24 L 4.7202 8.6515 123.5377 53.5005 45.1698 175.4346 25 H 5.1144 8.2872 117.2523 54.0930 33.4827 172.8203 26 L 4.7212 8.0921 123.6058 56.5869 42.0304 177.0671 27 G 3.9238 9.0906 113.4747 45.0457 0.0000 172.3667 28 D 4.9567 7.8457 119.6113 52.5670 43.6262 174.8902 29 I 4.9281 8.1455 121.8708 59.4179 40.4056 174.4896 30 L 4.8730 8.5532 127.3833 53.5353 43.8994 176.0725 31 T 4.6409 8.5788 122.5786 62.2982 68.8320 172.9968 32 V 4.5219 7.8742 126.4027 60.8911 33.0324 175.2664 33 N 4.5596 8.9150 125.9556 53.5783 39.1625 175.3908 34 K 4.4759 8.4575 117.3802 59.3995 33.1126 179.2852 35 G 3.5057 7.8938 106.3408 47.7800 0.0000 175.4921 36 S 4.1360 8.2072 114.4013 60.5434 62.1728 175.3957 37 L 4.4475 7.8601 121.4357 57.4481 42.3977 177.6612 38 V 4.0514 7.8183 115.6290 63.3665 31.3736 176.9574 39 A 4.1166 8.0112 119.3662 54.6586 18.1907 178.3032 40 L 4.0174 7.9126 116.6870 56.9807 42.4403 176.4483 41 G 3.2181 8.1197 105.9829 44.9455 0.0000 173.3956 42 F 4.5251 7.4675 119.9176 57.8487 39.2472 174.2860 43 S 4.8174 8.3093 116.0239 56.8490 65.0293 174.0877 44 D 5.1025 8.3106 121.8857 53.7777 38.5917 174.3585 45 G 3.7075 8.4442 120.8662 45.3935 0.0000 173.4179 46 Q 3.7999 7.9635 121.3936 58.4323 28.8611 178.0275 47 E 3.3204 7.8298 114.7692 58.6946 29.1726 177.0227 48 A 4.4280 6.7847 121.9425 51.2868 19.9715 178.2014 49 R 4.5770 7.4362 117.1767 55.8363 31.8814 173.2034 50 P 4.0358 0.0000 0.0000 65.3376 32.1430 179.1302 51 E 3.9006 8.0748 114.7997 58.7420 29.5079 177.3516 52 E 4.4935 7.7799 116.2420 55.9819 29.8580 176.3446 53 I 3.8209 7.2808 121.6287 63.2058 37.6945 176.1016 54 G 4.3531 7.6383 112.0994 44.3739 0.0000 172.4171 55 W 5.4412 7.8152 119.8995 54.0855 34.0686 174.3545 56 L 4.7648 8.3206 122.0902 52.9710 45.7286 175.3613 57 N 5.0089 8.2971 121.8887 51.9217 39.3789 173.5868 58 G 4.4457 8.5216 113.1775 44.5763 0.0000 169.0430 59 Y 4.8152 8.3752 120.3215 55.8819 40.5262 175.0634 60 N 5.5299 8.4652 125.7023 51.5792 37.1181 175.7530 61 E 4.1361 8.6382 122.6319 59.5886 30.1761 178.8598 62 T 3.9976 8.1589 115.2760 66.2657 68.5330 175.2402 63 T 4.4787 7.7497 107.4504 60.2486 69.4659 173.9279 64 G 4.0310 7.7789 109.8677 47.1891 0.0000 173.0389 65 E 4.6756 7.0154 115.7094 53.9151 33.2711 175.2345 66 R 5.0304 8.6003 119.6554 54.1795 33.5524 174.8008 67 G 4.0494 7.8579 110.1845 46.9884 0.0000 171.2104 68 D 5.5257 8.2500 119.6640 52.9473 43.2885 175.7877 69 F 4.8897 7.5303 112.8502 55.2765 41.3847 171.6364 70 P 2.9700 0.0000 0.0000 61.9330 31.2148 177.7049 71 G 3.6567 8.2357 114.3521 48.6445 0.0000 175.1778 72 T 3.7176 7.4576 109.0079 64.4665 68.7256 173.6796 73 Y 4.8598 7.4813 119.4160 58.2015 37.9248 174.8303 74 V 5.4918 7.9853 112.9322 60.0053 36.6341 175.7803 75 E 4.6218 8.8578 118.1889 55.2808 31.0177 172.7450 76 Y 4.9109 8.3996 127.6477 59.4175 39.4795 176.1032 77 I 4.2872 9.2266 124.3676 60.5887 39.5286 175.3931 78 G 3.4489 6.4854 108.3421 43.8100 0.0000 174.1873 79 R 4.3171 8.3623 116.8246 56.3942 29.8249 176.0926 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 4 E 8.43 4.17 0.00 1.94 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 2.19 2.30 0.00 5 G 7.52 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 8.65 4.96 0.00 2.82 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 7 Q 9.24 4.72 0.00 2.28 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 8 Y 8.01 5.57 0.00 2.97 2.99 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 0.00 0.00 0.00 0.00 9 R 8.33 5.12 0.00 1.88 2.01 0.00 3.11 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.73 0.00 10 A 8.66 4.29 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.75 4.13 0.00 1.85 2.10 1.17 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.08 4.66 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.49 5.03 0.00 2.77 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 14 Y 8.80 5.10 0.00 3.32 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.24 4.59 0.00 1.43 1.52 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.35 7.81 16 K 8.84 3.95 0.00 2.10 1.83 0.00 1.64 0.00 0.00 0.61 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.78 7.81 17 E 9.33 4.18 0.00 2.11 1.91 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 2.29 2.24 0.00 18 R 7.96 4.10 0.00 2.07 1.82 0.00 3.08 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 19 E 8.74 4.13 0.00 1.93 1.98 0.00 0.00 0.00 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 2.32 0.00 20 E 8.06 4.25 0.00 1.97 1.82 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 2.43 2.26 0.00 21 D 8.23 5.85 0.00 3.57 3.26 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 22 I 8.36 4.99 1.98 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.14 1.06 0.00 0.00 23 D 8.75 5.00 0.00 2.63 2.78 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 24 L 8.65 4.72 0.00 1.79 1.54 0.57 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.29 5.11 0.00 3.08 3.10 0.00 5.85 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.09 4.72 0.00 1.45 1.55 0.83 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 27 G 9.09 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 0.00 0.00 0.00 28 D 7.85 4.96 0.00 2.99 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.15 4.93 1.90 0.00 0.00 0.87 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 0.99 0.93 0.00 0.00 30 L 8.55 4.87 0.00 1.27 1.38 0.78 -1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.58 4.64 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 1.26 0.00 0.00 32 V 7.87 4.52 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 1.19 0.00 0.00 1.09 0.00 0.00 33 N 8.92 4.56 0.00 2.78 2.81 0.00 0.00 7.16 7.60 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 34 K 8.46 4.48 0.00 1.99 1.58 0.00 1.49 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.46 7.81 35 G 7.89 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.21 4.14 0.00 3.91 3.99 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 0.00 0.00 0.00 0.00 37 L 7.86 4.45 0.00 2.01 2.06 1.08 0.86 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 38 V 7.82 4.05 2.24 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 0.96 0.00 0.00 1.15 0.00 0.00 39 A 8.01 4.12 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 40 L 7.91 4.02 0.00 0.83 1.37 0.09 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.12 3.22 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 0.00 0.00 0.00 0.00 42 F 7.47 4.53 0.00 3.07 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.31 4.82 0.00 3.89 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.31 5.10 0.00 2.65 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.44 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 0.00 0.00 0.00 46 Q 7.96 3.80 0.00 2.26 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.66 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 47 E 7.83 3.32 0.00 1.16 1.67 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 0.00 1.72 1.47 0.00 48 A 6.78 4.43 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.44 4.58 0.00 1.75 1.57 0.00 3.08 0.00 0.00 3.09 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 50 P 0.00 4.04 0.00 2.23 1.84 0.00 3.48 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.43 0.00 51 E 8.07 3.90 0.00 1.99 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 2.19 2.26 0.00 52 E 7.78 4.49 0.00 1.89 1.90 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 2.21 2.19 0.00 53 I 7.28 3.82 1.72 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.10 0.18 0.90 0.00 0.00 54 G 7.64 4.35 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 0.00 55 W 7.82 5.44 0.00 3.02 3.08 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 0.00 0.00 0.00 0.00 56 L 8.32 4.76 0.00 1.82 1.70 1.13 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.30 5.01 0.00 2.94 2.76 0.00 0.00 7.40 8.05 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 58 G 8.52 4.45 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 0.00 0.00 0.00 59 Y 8.38 4.82 0.00 3.14 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 60 N 8.47 5.53 0.00 2.68 2.71 0.00 0.00 6.88 7.01 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 61 E 8.64 4.14 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.64 0.00 62 T 8.16 4.00 4.67 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 0.00 0.00 0.00 1.24 0.00 0.00 63 T 7.75 4.48 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 1.35 0.00 0.00 64 G 7.78 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 65 E 7.02 4.68 0.00 1.79 1.76 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 2.25 2.32 0.00 66 R 8.60 5.03 0.00 2.11 1.88 0.00 3.51 0.00 0.00 3.56 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.98 0.00 67 G 7.86 4.05 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 0.00 68 D 8.25 5.53 0.00 2.74 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 F 7.53 4.89 0.00 2.90 3.22 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 0.00 70 P 0.00 2.97 0.00 0.69 0.77 0.00 3.16 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.57 0.00 71 G 8.24 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 T 7.46 3.72 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 0.93 0.00 0.00 73 Y 7.48 4.86 0.00 3.00 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 74 V 7.99 5.49 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.91 0.00 0.00 75 E 8.86 4.62 0.00 2.04 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 2.52 2.38 0.00 76 Y 8.40 4.91 0.00 2.74 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 9.23 4.29 1.88 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 1.16 1.05 0.87 0.00 0.00 78 G 6.49 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 0.00 0.00 0.00 79 R 8.36 4.32 0.00 1.97 1.97 0.00 3.09 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00