NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.0799 8.2549 120.8393 55.0632 31.0052 175.2258 2 P 4.0899 0.0000 0.0000 62.3051 32.0268 176.0606 3 D 4.4032 8.3855 121.1556 56.9632 41.7373 178.5850 4 F 4.4286 7.9978 114.6986 59.5577 37.6485 177.4933 5 C 4.6613 7.2562 115.7224 58.6767 40.0070 174.4998 6 L 4.3920 7.7276 119.3305 53.9281 42.1269 176.6480 7 E 4.2256 7.5122 119.0903 55.6508 30.0917 175.0207 8 P 4.5957 0.0000 0.0000 60.7936 32.4828 174.5867 9 P 3.5667 0.0000 0.0000 62.7118 31.3510 175.0905 10 Y 4.7876 7.8805 122.7494 56.0039 40.4032 175.2760 11 T 4.1643 8.3929 125.1107 65.1698 68.8884 176.1862 12 G 3.6762 6.5894 104.1208 44.2235 0.0000 171.3665 13 P 4.3599 0.0000 0.0000 64.2396 31.7756 177.6174 14 C 4.5077 7.6216 116.3234 56.6064 40.7755 173.6996 15 K 3.7973 8.2946 119.7325 57.9067 32.2660 177.5445 16 A 4.0981 7.7125 121.4243 51.5786 19.5573 177.0114 17 R 4.7507 7.9384 116.1729 54.5662 29.5284 175.1341 18 I 4.3594 7.9519 121.4335 59.7215 40.0303 176.1749 19 I 4.3252 8.1171 127.0814 60.8186 37.9165 175.3630 20 R 4.5542 8.3345 124.8614 54.5273 34.8296 173.6255 21 Y 5.6860 9.2126 118.2285 56.5779 41.0507 175.1546 22 F 5.7636 9.4209 116.7225 55.4529 42.1060 172.7825 23 Y 4.3966 9.5963 122.7159 57.1326 39.6014 174.4044 24 N 4.5865 7.9536 126.2406 51.8694 39.1941 175.1055 25 A 3.9157 8.8171 132.5395 55.7764 18.8361 179.4276 26 K 4.0612 8.0888 115.4729 57.4797 31.8602 179.7321 27 A 4.1192 7.7910 120.6345 52.5086 18.9782 178.3238 28 G 3.8714 9.3641 103.6213 45.2584 0.0000 172.5595 29 L 4.5865 6.6306 118.3940 54.3503 44.1094 174.9881 30 C 4.9014 8.5636 116.9380 56.8850 41.9495 173.1372 31 Q 4.8600 8.5394 121.2406 54.2752 33.0716 174.2615 32 T 5.1465 8.5725 110.2993 61.2434 70.7237 173.9674 33 F 5.0106 8.8036 116.7463 55.8655 41.8852 173.1690 34 V 4.2233 8.4327 120.6067 62.3367 32.3094 174.3620 35 Y 4.6741 8.8713 130.5815 56.3459 39.8881 176.6706 36 G 3.4088 8.9424 114.5250 48.0444 0.0000 174.7307 37 G 3.6182 5.7077 106.4758 45.3532 0.0000 172.3286 38 C 4.8292 7.1031 112.4699 54.7531 44.9864 173.3449 39 R 3.7433 8.5963 116.5919 57.3976 26.7779 176.7062 40 A 4.3712 7.8007 119.2602 51.8293 19.7418 178.3014 41 K 4.4344 8.2963 120.5675 55.2933 34.0945 177.1772 42 R 3.6308 7.5754 118.1063 59.4857 30.0845 177.6220 43 N 4.9216 7.8102 117.3393 51.6805 36.8737 173.2301 44 N 5.0422 7.1433 116.8684 52.7536 41.7675 173.2431 45 F 4.9292 9.5958 126.0309 55.6750 42.0268 176.8642 46 K 4.0514 9.1787 124.1310 58.5827 32.8610 177.4095 47 S 4.8281 8.0396 112.5046 56.4963 64.8943 174.5235 48 A 3.3381 8.0616 130.3948 54.6621 18.2408 179.3169 49 E 3.7213 7.9406 117.4378 59.6239 29.7573 178.5762 50 D 4.3057 7.6205 117.9035 57.4570 40.8610 178.0033 51 C 2.4500 7.5240 118.1894 59.5649 37.8101 175.7261 52 M 3.7815 7.7525 119.9254 57.9176 31.1987 178.7265 53 R 3.8973 7.4304 118.0737 59.2690 30.3855 178.3678 54 T 4.0711 7.6537 114.5899 66.2526 68.5829 175.2141 55 C 4.4063 7.5876 115.3998 56.3550 40.5588 174.2248 56 G 4.1065 7.6437 114.0499 45.1859 0.0000 174.2657 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 R 8.25 4.08 0.00 1.59 1.80 0.00 2.86 0.00 0.00 2.85 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.35 0.00 2 P 0.00 4.09 0.00 1.12 1.70 0.00 3.29 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.06 0.00 3 D 8.39 4.40 0.00 2.70 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.00 4.43 0.00 3.26 3.35 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 5 C 7.26 4.66 0.00 2.83 3.04 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 0.00 6 L 7.73 4.39 0.00 1.74 1.75 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.51 4.23 0.00 2.17 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 2.40 2.53 0.00 8 P 0.00 4.60 0.00 1.98 1.92 0.00 3.66 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 1.99 2.06 0.00 9 P 0.00 3.57 0.00 0.75 0.49 0.00 3.38 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.64 0.00 10 Y 7.88 4.79 0.00 2.76 2.91 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 11 T 8.39 4.16 4.14 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 1.21 0.00 0.00 12 G 6.59 3.68 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 0.00 0.00 0.00 13 P 0.00 4.36 0.00 2.18 2.21 0.00 3.73 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 1.96 2.02 0.00 14 C 7.62 4.51 0.00 2.75 2.95 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 15 K 8.29 3.80 0.00 1.95 1.80 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.43 1.00 7.81 16 A 7.71 4.10 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 17 R 7.94 4.75 0.00 1.61 1.80 0.00 3.16 0.00 0.00 3.19 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 18 I 7.95 4.36 1.87 0.00 0.00 0.81 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 1.01 0.91 0.00 0.00 19 I 8.12 4.33 1.72 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.68 0.57 0.00 0.00 20 R 8.33 4.55 0.00 0.67 1.58 0.00 3.34 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.48 0.00 21 Y 9.21 5.69 0.00 3.08 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 22 F 9.42 5.76 0.00 3.09 3.11 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 0.00 0.00 0.00 0.00 23 Y 9.60 4.40 0.00 3.01 3.17 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 24 N 7.95 4.59 0.00 2.37 2.44 0.00 0.00 6.65 7.43 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 25 A 8.82 3.92 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 4.06 0.00 1.79 1.74 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.01 7.81 27 A 7.79 4.12 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 28 G 9.36 3.87 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 0.00 0.00 0.00 29 L 6.63 4.59 0.00 1.65 1.69 0.80 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.56 4.90 0.00 2.82 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 31 Q 8.54 4.86 0.00 1.51 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.16 1.95 0.00 32 T 8.57 5.15 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 1.25 0.00 0.00 33 F 8.80 5.01 0.00 2.97 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 34 V 8.43 4.22 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 0.70 0.00 0.00 0.91 0.00 0.00 35 Y 8.87 4.67 0.00 2.52 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 36 G 8.94 3.41 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 0.00 37 G 5.71 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 38 C 7.10 4.83 0.00 3.03 2.95 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 39 R 8.60 3.74 0.00 2.41 2.19 0.00 3.32 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.18 0.00 40 A 7.80 4.37 1.05 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 41 K 8.30 4.43 0.00 1.80 1.96 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.72 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.64 1.38 7.81 42 R 7.58 3.63 0.00 1.57 0.66 0.00 3.00 0.00 0.00 2.46 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.32 0.00 43 N 7.81 4.92 0.00 3.17 2.89 0.00 0.00 6.69 7.79 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 44 N 7.14 5.04 0.00 2.71 2.54 0.00 0.00 7.09 7.02 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 45 F 9.60 4.93 0.00 3.26 3.17 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 46 K 9.18 4.05 0.00 1.79 1.94 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.49 7.81 47 S 8.04 4.83 0.00 3.98 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 48 A 8.06 3.34 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.94 3.72 0.00 1.97 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 2.32 2.35 0.00 50 D 7.62 4.31 0.00 3.02 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 51 C 7.52 2.45 0.00 2.63 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 52 M 7.75 3.78 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.58 0.00 53 R 7.43 3.90 0.00 1.77 1.93 0.00 3.24 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 54 T 7.65 4.07 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 1.48 0.00 0.00 55 C 7.59 4.41 0.00 2.33 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 0.00 0.00 0.00 56 G 7.64 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00