NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6031 8.3649 120.4804 54.2735 42.8746 175.0856 2 K 4.1840 8.1872 118.9635 53.0513 34.0732 174.2439 3 L 4.0330 8.4289 127.3084 55.3015 42.8274 175.9168 4 I 4.4215 7.7208 111.6548 60.9421 40.6037 175.8650 5 G 3.8000 6.8117 108.5388 46.1764 0.0000 171.7137 6 S 5.4023 7.7168 118.0204 57.0082 64.7771 172.8939 7 C 4.8669 9.3831 120.9722 56.4572 43.5923 173.8705 8 V 4.5855 7.8896 117.4472 60.7709 33.7907 176.1149 9 W 3.6019 8.6238 128.4502 53.1837 27.6065 174.3753 10 G 2.9261 6.4875 114.1038 43.9404 0.0000 168.9660 11 A 4.4171 6.6285 121.0296 51.0341 22.7196 176.0565 12 V 3.9036 8.1698 119.7295 62.3133 32.5785 174.8289 13 N 4.0926 8.7751 115.0670 53.0143 36.5224 173.2643 14 Y 4.2987 7.3606 118.7007 59.6796 38.5617 175.8183 15 T 3.7809 6.5249 123.3322 61.2497 69.4581 174.4447 16 S 4.5797 7.9697 118.2792 59.2535 62.8138 169.4555 17 D 4.6580 6.9441 117.6950 49.8916 38.5142 175.1867 18 C 3.6582 7.6952 123.2008 61.0887 38.0163 173.8046 19 N 4.2817 8.3126 117.8665 57.1084 38.6212 177.2035 20 G 3.9386 7.8020 107.8093 47.2121 0.0000 175.0684 21 E 4.0570 8.8133 122.8804 58.8139 29.5737 178.6210 22 C 4.6003 8.7707 116.9130 60.0371 41.5841 176.0332 23 L 4.0387 8.2552 120.9184 57.6306 40.9097 179.5360 24 L 3.9781 8.2298 118.6713 56.9967 41.5888 178.6222 25 R 4.1473 7.1334 114.3063 55.0739 30.3756 177.1451 26 G 3.7555 7.6213 106.9474 45.9445 0.0000 173.3997 27 Y 4.7833 7.8243 117.7325 57.1613 38.9037 175.3064 28 K 4.3316 8.8661 119.5293 55.6978 34.2273 176.1972 29 G 4.3564 8.6219 110.3083 45.4393 0.0000 173.4970 30 G 4.2451 8.4171 115.6369 46.2214 0.0000 170.0004 31 H 4.8528 8.5018 114.2316 55.3838 32.2072 172.1715 32 C 5.0733 8.9590 116.0293 55.3173 41.6723 174.1279 33 G 4.1641 8.8855 110.4459 46.0597 0.0000 173.8600 34 S 4.3160 8.8420 118.0566 60.4950 62.7310 175.6806 35 F 4.8876 7.6718 120.2095 57.2506 39.8960 174.9741 36 A 4.3657 7.7410 115.8606 49.6497 19.5179 176.5750 37 N 4.6605 8.0427 121.0318 53.6733 36.8434 172.8751 38 V 4.4475 7.7941 127.7770 62.1701 37.7048 172.3684 39 N 5.2233 8.0073 116.4913 51.1633 42.3972 173.1082 40 C 5.3901 8.5876 121.2892 55.0828 47.7883 172.4531 41 W 5.3228 9.0346 121.8492 55.4389 33.6381 173.8304 42 C 4.8698 8.7786 119.6656 55.2198 41.5103 173.9344 43 E 4.3114 7.5779 121.4518 55.5865 28.3612 175.9253 44 T 4.1235 7.4210 117.6923 62.3267 67.4056 173.7851 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 D 8.36 4.60 0.00 2.66 2.79 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 0.00 0.00 0.00 0.00 2 K 8.19 4.18 0.00 1.12 0.74 0.00 1.51 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.89 1.39 7.81 3 L 8.43 4.03 0.00 1.05 1.31 -0.01 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 4 I 7.72 4.42 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.67 1.04 0.00 0.00 5 G 6.81 3.80 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 0.00 0.00 0.00 6 S 7.72 5.40 0.00 4.17 3.80 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 7 C 9.38 4.87 0.00 2.77 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 8 V 7.89 4.59 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.03 0.00 0.00 9 W 8.62 3.60 0.00 3.32 3.05 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 10 G 6.49 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.63 4.42 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 12 V 8.17 3.90 2.07 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 1.08 0.00 0.00 0.92 0.00 0.00 13 N 8.78 4.09 0.00 2.91 2.96 0.00 0.00 5.48 7.53 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 14 Y 7.36 4.30 0.00 3.01 2.77 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 15 T 6.52 3.78 3.98 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 1.04 0.00 0.00 16 S 7.97 4.58 0.00 3.29 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 17 D 6.94 4.66 0.00 2.75 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 18 C 7.70 3.66 0.00 2.97 3.06 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 0.00 0.00 0.00 19 N 8.31 4.28 0.00 2.88 2.85 0.00 0.00 6.86 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 20 G 7.80 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 0.00 0.00 0.00 21 E 8.81 4.06 0.00 1.94 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 2.22 2.36 0.00 22 C 8.77 4.60 0.00 3.26 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 23 L 8.26 4.04 0.00 1.87 1.70 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.23 3.98 0.00 1.68 1.66 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.13 4.15 0.00 1.42 0.66 0.00 3.40 0.00 0.00 3.25 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.45 0.00 26 G 7.62 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 0.00 0.00 0.00 27 Y 7.82 4.78 0.00 2.87 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 28 K 8.87 4.33 0.00 1.93 1.75 0.00 1.68 0.00 0.00 1.96 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.56 7.81 29 G 8.62 4.36 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 0.00 30 G 8.42 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 0.00 0.00 0.00 0.00 31 H 8.50 4.85 0.00 3.19 3.45 0.00 5.26 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 C 8.96 5.07 0.00 2.96 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 33 G 8.89 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 0.00 0.00 0.00 0.00 34 S 8.84 4.32 0.00 3.84 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.67 4.89 0.00 2.90 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 36 A 7.74 4.37 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.04 4.66 0.00 2.87 2.95 0.00 0.00 6.18 7.65 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 38 V 7.79 4.45 2.11 0.00 0.00 0.00 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 0.96 0.00 0.00 39 N 8.01 5.22 0.00 2.91 2.49 0.00 0.00 6.65 7.56 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 40 C 8.59 5.39 0.00 2.87 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 41 W 9.03 5.32 0.00 3.16 3.06 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 0.00 0.00 0.00 42 C 8.78 4.87 0.00 2.54 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 43 E 7.58 4.31 0.00 2.16 1.92 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 2.30 2.31 0.00 44 T 7.42 4.12 4.06 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 0.00 0.00 1.06 0.00 0.00