NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.3392 8.2393 117.2807 55.7870 31.0769 175.2231 6 D 4.8479 8.1222 115.6785 51.5621 39.6268 174.1980 7 N 5.1079 7.9242 115.3227 53.4916 38.7697 175.2846 8 C 4.8087 8.3151 110.9409 58.8700 30.3740 173.2469 9 C 4.6822 8.0698 119.2061 59.2650 31.2545 174.9140 10 I 4.5532 7.5872 120.3032 60.0750 35.6903 176.2063 11 L 3.9636 7.3773 124.6994 55.3799 42.2307 177.1291 12 D 4.4786 7.6095 118.8046 53.1196 42.7889 175.1880 13 E 4.0246 9.0047 127.6206 59.4819 29.6674 179.0900 14 R 3.8609 8.3058 117.0225 58.1379 30.1089 177.3244 15 F 4.6396 8.2982 114.2650 56.6316 39.3420 176.6441 16 G 3.8751 8.0824 110.6013 44.4155 0.0000 172.1426 17 S 4.7902 8.4162 113.0556 58.3152 63.0578 174.3257 18 Y 4.6871 8.9911 124.7097 57.8520 39.1650 174.3241 19 C 5.0064 8.2681 117.6109 57.5496 32.7541 172.1698 20 P 4.4748 0.0000 0.0000 62.6285 31.9669 176.6449 21 T 4.3371 8.0506 110.2458 61.1180 71.3412 175.6422 22 T 4.0498 8.2373 111.2544 64.2332 68.8013 176.4307 23 C 4.2525 8.0750 120.3151 62.7466 28.2903 175.8186 24 G 3.6194 8.0768 107.4519 47.7261 0.0000 175.8220 25 I 3.7367 7.9623 121.9960 64.1957 37.1287 178.4098 26 A 4.1044 8.3080 121.7847 55.3396 18.3243 179.4723 27 D 4.3288 8.5233 117.7650 57.2700 40.7872 178.8028 28 F 3.9946 8.4305 121.2604 61.2369 39.4971 176.8736 29 L 4.2166 8.6847 120.4659 58.2742 41.8411 178.4787 30 N 4.3153 8.4387 117.0319 56.7577 38.9359 176.7108 31 N 4.2655 7.9563 117.4158 56.3010 38.5485 176.7788 32 Y 3.9672 7.9700 121.2518 60.6840 38.8124 177.9010 33 Q 3.6048 8.5232 120.9888 59.3720 29.1796 178.4028 34 T 3.7912 7.9293 110.8225 64.6012 68.8065 176.5228 35 S 3.9320 8.0268 115.9286 61.3021 62.4286 176.4178 36 V 3.4985 7.7165 121.1614 65.7599 31.1221 177.3582 37 D 4.2226 8.1908 118.2242 57.1555 41.0306 178.2243 38 K 3.8978 7.9802 120.0860 59.5992 32.2345 178.5168 39 D 4.3380 7.9638 119.0261 57.3491 40.7055 178.8498 40 L 3.9566 8.1868 119.7726 57.8484 41.6199 179.6839 41 R 4.2012 8.2308 119.7445 58.9367 29.8334 179.3130 42 T 3.8298 7.9191 115.4910 66.5833 68.4690 176.8056 43 L 3.9031 7.6538 120.4082 57.8550 41.1134 179.4798 44 E 3.2215 8.5241 119.0331 58.8779 29.0352 179.6974 45 G 3.5933 7.8754 105.3695 47.6005 0.0000 175.7369 46 I 3.8601 7.2485 121.0575 64.1573 37.2756 178.0311 47 L 4.2543 7.5671 118.0892 56.5182 41.8078 176.5745 48 Y 4.5944 7.9640 120.8012 58.1405 38.0167 175.2587 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 5 R 8.24 4.34 0.00 1.93 2.09 0.00 2.93 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 6 D 8.12 4.85 0.00 2.84 2.73 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 7 N 7.92 5.11 0.00 2.79 2.86 0.00 0.00 6.04 7.68 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 8 C 8.32 4.81 0.00 3.06 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 9 C 8.07 4.68 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 10 I 7.59 4.55 1.86 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 1.57 1.27 0.99 0.00 0.00 11 L 7.38 3.96 0.00 0.27 1.25 0.67 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 12 D 7.61 4.48 0.00 2.82 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 13 E 9.00 4.02 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 2.32 2.35 0.00 14 R 8.31 3.86 0.00 1.52 1.29 0.00 3.00 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 15 F 8.30 4.64 0.00 3.18 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 16 G 8.08 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 17 S 8.42 4.79 0.00 3.96 3.90 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 18 Y 8.99 4.69 0.00 2.85 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 C 8.27 5.01 0.00 2.77 2.76 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 20 P 0.00 4.47 0.00 2.15 2.04 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.89 0.00 21 T 8.05 4.34 4.22 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 1.19 0.00 0.00 22 T 8.24 4.05 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 1.20 0.00 0.00 23 C 8.08 4.25 0.00 3.00 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 24 G 8.08 3.62 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 0.00 25 I 7.96 3.74 2.04 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.77 0.93 0.00 0.00 26 A 8.31 4.10 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 27 D 8.52 4.33 0.00 2.75 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 28 F 8.43 3.99 0.00 3.29 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 29 L 8.68 4.22 0.00 1.99 1.92 1.15 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.44 4.32 0.00 2.81 2.96 0.00 0.00 7.22 6.24 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 31 N 7.96 4.27 0.00 2.77 2.70 0.00 0.00 6.69 6.93 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 32 Y 7.97 3.97 0.00 2.49 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 33 Q 8.52 3.60 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.50 0.00 34 T 7.93 3.79 4.19 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 1.24 0.00 0.00 35 S 8.03 3.93 0.00 3.94 3.96 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 36 V 7.72 3.50 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.66 0.00 0.00 37 D 8.19 4.22 0.00 2.84 2.76 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 38 K 7.98 3.90 0.00 1.84 1.91 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.45 7.81 39 D 7.96 4.34 0.00 2.86 2.66 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 40 L 8.19 3.96 0.00 1.76 1.68 0.88 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.23 4.20 0.00 2.00 1.95 0.00 3.12 0.00 0.00 3.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 42 T 7.92 3.83 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 1.17 0.00 0.00 43 L 7.65 3.90 0.00 1.74 1.58 0.88 1.07 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 44 E 8.52 3.22 0.00 1.84 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 2.07 2.26 0.00 45 G 7.88 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.25 3.86 1.93 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 1.49 0.66 0.87 0.00 0.00 47 L 7.57 4.25 0.00 1.28 1.74 0.85 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 7.96 4.59 0.00 2.98 2.75 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 0.00 0.00 0.00 0.00