NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4324 8.3044 118.1941 54.7528 32.6947 175.0164 2 V 3.4416 8.5880 120.2636 65.1693 31.4697 174.9501 3 I 4.4420 7.9373 124.0356 59.4712 39.7371 174.6015 4 A 4.5760 9.3663 129.2165 50.7092 20.8514 177.8663 5 T 3.9058 8.6632 116.2302 67.1918 68.2030 176.4128 6 D 4.7406 8.1272 118.0554 55.8611 39.3291 177.1808 7 D 4.6185 8.0216 118.9749 55.2025 41.5729 176.6519 8 L 4.7403 8.3427 119.4044 55.4266 44.0094 176.1713 9 E 5.3128 7.9084 114.2067 55.2850 32.4683 174.6668 10 T 4.7938 9.0542 110.9384 59.7421 72.7414 173.2409 11 T 4.2843 8.5723 119.3471 64.1392 69.3736 173.6166 12 C 4.3236 9.0065 127.7481 58.9099 32.0061 172.9201 13 P 4.3427 0.0000 0.0000 65.4523 31.5999 177.2711 14 N 4.4358 8.3070 117.3022 55.8815 39.1809 174.9363 15 C 4.6605 7.9600 109.6871 56.9881 30.4554 173.4084 16 N 4.0266 9.2846 116.1211 54.6851 36.5810 175.1527 17 G 4.0795 8.3366 105.3839 45.2986 0.0000 176.2464 18 S 4.1789 7.8744 114.0373 59.0328 63.6246 175.7184 19 G 3.9511 8.3526 108.3404 45.5357 0.0000 172.7219 20 R 4.9143 7.9532 117.7151 54.2386 33.3087 175.5630 21 E 4.5372 8.8708 122.3737 53.0938 29.6756 173.5829 22 E 4.1776 8.4621 121.1560 56.2236 30.2133 175.2269 23 P 4.6651 0.0000 0.0000 62.5446 31.7208 174.7511 24 E 4.7050 7.9698 119.5962 53.6047 32.4361 173.4524 25 P 4.7327 0.0000 0.0000 62.1187 32.2800 176.0091 26 C 4.2950 8.9860 121.2786 58.8885 31.8500 173.1423 27 P 4.3801 0.0000 0.0000 65.2274 31.3816 177.9569 28 K 4.1553 8.1394 117.2392 58.5152 32.3457 177.3963 29 C 4.6072 7.9756 111.2350 56.9483 30.3953 173.8555 30 L 3.6637 8.8295 118.0694 56.3040 38.4148 175.5022 31 G 4.0225 8.0902 105.0779 45.7228 0.0000 174.0499 32 K 4.0492 8.1229 118.5076 57.1865 32.5157 178.3409 33 G 4.0573 8.7869 106.2113 46.1672 0.0000 172.8037 34 V 5.1746 7.2404 110.8938 59.5210 36.0149 174.5997 35 I 4.6940 8.9165 115.4923 58.9281 40.8813 174.8320 36 L 4.7657 8.4472 123.3222 54.9635 42.5757 176.9467 37 T 4.3693 8.4772 112.7977 60.5309 70.7939 175.4565 38 A 3.9511 8.7402 123.2713 55.6293 18.0989 179.7362 39 Q 4.0250 8.0717 117.5503 59.1702 29.1777 178.4254 40 G 3.6103 8.1559 107.1828 47.7911 0.0000 175.9313 41 S 4.1711 8.3846 117.0301 61.2485 63.0154 176.6265 42 T 3.8741 7.9911 119.3553 66.5670 68.2514 176.4773 43 L 4.0849 7.9142 120.6663 57.6518 41.6007 179.3281 44 L 3.9404 8.1846 120.4055 58.4890 42.0186 178.3168 45 H 4.0878 8.7714 118.5016 59.3235 29.6043 176.8248 46 F 4.1565 8.4473 122.2318 61.4056 39.2753 177.1840 47 I 3.4968 7.8577 119.3377 64.3889 36.7259 178.7198 48 K 3.9565 7.9832 118.1087 59.1045 31.8727 179.1114 49 K 3.9526 7.8815 119.5456 58.6058 32.2297 176.8973 50 H 4.7153 7.3372 113.3764 54.9601 30.3189 175.2789 51 I 3.5428 7.7060 120.1718 63.5514 37.8356 176.0999 52 H 4.8553 7.7716 114.3614 55.1992 29.0999 174.3793 53 E 4.1256 7.8181 125.4386 56.9237 29.2529 176.8367 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 4.43 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 2 V 8.59 3.44 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 0.78 0.00 0.00 0.92 0.00 0.00 3 I 7.94 4.44 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.78 0.91 0.00 0.00 4 A 9.37 4.58 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 5 T 8.66 3.91 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 6 D 8.13 4.74 0.00 2.81 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.02 4.62 0.00 2.84 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 8 L 8.34 4.74 0.00 1.69 1.69 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 9 E 7.91 5.31 0.00 2.03 1.87 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 2.35 2.31 0.00 10 T 9.05 4.79 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 11 T 8.57 4.28 4.24 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 0.00 0.00 0.00 1.27 0.00 0.00 12 C 9.01 4.32 0.00 2.99 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 13 P 0.00 4.34 0.00 2.22 2.16 0.00 3.82 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 14 N 8.31 4.44 0.00 2.69 2.88 0.00 0.00 6.80 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 15 C 7.96 4.66 0.00 3.17 3.16 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 16 N 9.28 4.03 0.00 2.89 2.91 0.00 0.00 7.18 7.59 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 17 G 8.34 4.08 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 0.00 0.00 0.00 18 S 7.87 4.18 0.00 4.01 4.07 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 0.00 0.00 0.00 0.00 19 G 8.35 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 0.00 0.00 0.00 20 R 7.95 4.91 0.00 1.78 1.80 0.00 3.59 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 21 E 8.87 4.54 0.00 1.92 1.77 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 2.19 2.24 0.00 22 E 8.46 4.18 0.00 1.99 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 2.33 2.27 0.00 23 P 0.00 4.67 0.00 2.17 2.13 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 24 E 7.97 4.70 0.00 2.02 1.80 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 2.18 2.27 0.00 25 P 0.00 4.73 0.00 2.08 1.97 0.00 3.73 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 26 C 8.99 4.29 0.00 3.01 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 27 P 0.00 4.38 0.00 2.08 2.09 0.00 3.78 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 28 K 8.14 4.16 0.00 1.75 1.87 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.37 7.81 29 C 7.98 4.61 0.00 3.27 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 30 L 8.83 3.66 0.00 1.73 1.74 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.09 4.02 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 0.00 0.00 0.00 32 K 8.12 4.05 0.00 1.86 1.88 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.38 7.81 33 G 8.79 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 0.00 0.00 0.00 0.00 34 V 7.24 5.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.99 0.00 0.00 35 I 8.92 4.69 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.16 0.91 0.00 0.00 36 L 8.45 4.77 0.00 1.56 1.65 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.48 4.37 4.24 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 0.00 0.00 0.00 1.25 0.00 0.00 38 A 8.74 3.95 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 39 Q 8.07 4.02 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 40 G 8.16 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 41 S 8.38 4.17 0.00 4.07 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.99 3.87 4.47 0.00 0.00 0.00 0.00 0.00 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 43 L 7.91 4.08 0.00 1.75 1.77 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.18 3.94 0.00 1.86 1.89 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 45 H 8.77 4.09 0.00 3.27 3.56 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.45 4.16 0.00 3.21 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.86 3.50 1.99 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.09 0.86 0.00 0.00 48 K 7.98 3.96 0.00 1.65 1.83 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.72 7.81 49 K 7.88 3.95 0.00 1.55 1.75 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.94 1.27 7.81 50 H 7.34 4.72 0.00 2.69 3.12 0.00 5.68 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.71 3.54 1.87 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 1.13 0.64 0.64 0.00 0.00 52 H 7.77 4.86 0.00 3.15 3.25 0.00 5.77 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 7.82 4.13 0.00 1.89 1.88 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 2.33 2.44 0.00