NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3731 8.3044 120.3283 54.5079 33.4233 174.1351 2 K 3.7185 8.4664 121.0235 56.6348 32.0498 175.2044 3 R 4.4244 8.4704 126.1060 55.1334 32.7093 176.0398 4 T 3.9222 8.4899 112.7762 65.0112 67.3619 174.1541 5 W 4.6946 8.1602 131.5892 57.2197 30.9728 175.9891 6 Q 4.2144 7.3223 125.3260 52.6242 28.5627 171.9407 7 P 3.1817 0.0000 0.0000 62.1192 32.0910 177.2782 8 N 4.4946 8.3606 120.7206 51.4564 40.5378 174.5176 9 R 3.9337 8.6349 128.0088 59.4443 30.2028 178.4785 10 R 3.8445 7.9490 117.3464 59.3192 30.1982 177.7942 11 K 3.7654 8.1117 118.9432 59.8069 31.9240 178.1429 12 R 3.9704 8.2317 118.3548 59.3717 30.0423 178.2673 13 A 4.0163 8.0983 120.3673 55.3533 18.2590 179.7449 14 K 3.9148 8.0689 115.6323 59.6057 32.0902 179.3799 15 T 4.1251 7.6729 115.0287 65.9548 68.9580 175.6301 16 H 4.8025 8.0569 114.4001 55.0994 29.8335 175.6218 17 G 3.9749 7.9890 109.9234 45.5665 0.0000 174.4474 18 F 4.0890 9.0882 122.3854 61.3725 39.1099 177.8347 19 R 3.8644 8.1476 115.6366 59.0529 30.2069 178.4798 20 A 4.0839 7.9055 119.9474 55.3520 18.5296 179.3920 21 R 3.8173 8.1790 116.9450 60.0979 29.9451 179.1873 22 M 3.9666 7.4041 116.5003 57.9727 31.8300 178.3822 23 R 3.9601 7.6168 117.8736 59.3591 30.7190 177.6904 24 T 4.1107 7.5677 112.3672 61.1326 69.5287 173.3940 25 P 4.4258 0.0000 0.0000 65.4750 31.5164 179.2319 26 G 3.6132 7.9013 106.3070 47.6852 0.0000 175.8347 27 G 4.1892 7.9491 109.6299 46.8654 0.0000 175.3925 28 R 3.8688 7.8572 120.6731 59.2233 30.1905 179.2192 29 K 3.9094 7.9488 117.6854 59.3371 31.9431 179.2939 30 V 3.5381 7.6031 118.3823 66.1505 31.4310 177.7826 31 L 4.0070 7.8020 118.2422 57.9073 41.5689 179.4988 32 K 3.8951 8.1780 119.3266 59.6181 32.0494 178.9809 33 R 3.9069 8.4256 118.3985 59.3617 30.0619 179.0573 34 R 3.9466 8.3743 118.1371 59.4429 30.1214 179.2777 35 R 3.9088 8.5955 117.7988 59.5323 29.9445 178.8260 36 Q 3.9871 7.9484 117.7177 59.2526 29.0055 178.1732 37 K 4.1855 8.3112 120.1745 57.1962 32.3210 177.1630 38 G 3.9800 8.0785 106.6722 45.7894 0.0000 173.9444 39 R 4.1839 7.6576 117.6393 55.7458 30.5932 177.3894 40 W 4.6408 8.6369 119.7790 58.1308 29.6935 176.8235 41 R 4.6350 7.8488 116.3605 54.2718 31.8509 175.3071 42 L 4.3296 8.6781 123.1148 56.6370 42.2288 177.1381 43 T 4.8208 7.4596 113.4040 60.6426 72.5516 171.7655 44 P 4.2511 0.0000 0.0000 62.7956 31.8684 176.2502 45 A 4.2552 8.4786 125.7796 51.9919 19.0449 176.9715 46 V 4.5339 7.9146 120.9229 61.8332 34.5596 173.5802 47 R 4.2383 8.3699 120.7869 56.4358 29.4950 174.9178 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 M 8.30 4.37 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 2 K 8.47 3.72 0.00 1.79 1.74 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.52 7.81 3 R 8.47 4.42 0.00 1.90 1.94 0.00 3.46 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.59 0.00 4 T 8.49 3.92 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 5 W 8.16 4.69 0.00 3.31 3.02 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 0.00 0.00 0.00 0.00 6 Q 7.32 4.21 0.00 1.79 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.45 0.00 0.00 0.00 0.00 0.00 2.33 2.17 0.00 7 P 0.00 3.18 0.00 2.09 2.05 0.00 3.45 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.95 0.00 8 N 8.36 4.49 0.00 2.62 2.56 0.00 0.00 7.18 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 9 R 8.63 3.93 0.00 1.89 2.02 0.00 3.20 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 10 R 7.95 3.84 0.00 1.87 1.91 0.00 3.20 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 11 K 8.11 3.77 0.00 1.96 2.02 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.57 7.81 12 R 8.23 3.97 0.00 2.02 2.15 0.00 3.48 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.89 0.00 13 A 8.10 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.07 3.91 0.00 1.88 1.89 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.66 7.81 15 T 7.67 4.13 4.17 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 0.88 0.00 0.00 16 H 8.06 4.80 0.00 3.19 3.35 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.99 3.97 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 0.00 0.00 0.00 18 F 9.09 4.09 0.00 3.16 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 19 R 8.15 3.86 0.00 1.86 2.00 0.00 3.34 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.85 0.00 20 A 7.91 4.08 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.18 3.82 0.00 1.76 1.91 0.00 3.29 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.85 0.00 22 M 7.40 3.97 0.00 1.84 2.03 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.82 0.00 23 R 7.62 3.96 0.00 1.87 1.96 0.00 3.14 0.00 0.00 3.13 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 24 T 7.57 4.11 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 1.26 0.00 0.00 25 P 0.00 4.43 0.00 2.29 2.28 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 26 G 7.90 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.95 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 0.00 0.00 0.00 0.00 28 R 7.86 3.87 0.00 2.06 1.99 0.00 3.12 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.88 0.00 29 K 7.95 3.91 0.00 1.99 1.86 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.59 7.81 30 V 7.60 3.54 2.25 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 1.04 0.00 0.00 0.99 0.00 0.00 31 L 7.80 4.01 0.00 1.96 1.79 0.69 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.18 3.90 0.00 1.82 2.01 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.51 7.81 33 R 8.43 3.91 0.00 2.00 1.97 0.00 3.20 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 34 R 8.37 3.95 0.00 2.05 2.04 0.00 3.17 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 35 R 8.60 3.91 0.00 2.00 2.01 0.00 3.18 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 36 Q 7.95 3.99 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.03 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 37 K 8.31 4.19 0.00 1.85 1.99 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.46 7.81 38 G 8.08 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 0.00 0.00 0.00 0.00 39 R 7.66 4.18 0.00 1.90 2.06 0.00 3.31 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 40 W 8.64 4.64 0.00 3.22 3.25 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 41 R 7.85 4.63 0.00 1.80 2.11 0.00 3.25 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 42 L 8.68 4.33 0.00 1.77 1.86 1.04 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.46 4.82 4.37 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 44 P 0.00 4.25 0.00 2.11 2.03 0.00 3.76 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 2.06 2.09 0.00 45 A 8.48 4.26 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 46 V 7.91 4.53 2.14 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 0.82 0.00 0.00 1.02 0.00 0.00 47 R 8.37 4.24 0.00 1.91 1.83 0.00 3.14 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 1.51 1.61 0.00