NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8559 8.1976 109.7377 45.9222 0.0000 174.9366 4 I 3.1013 8.2913 121.3116 60.7346 38.1453 172.5643 5 R 4.3362 9.7618 124.3009 55.3861 31.4558 177.4764 6 E 4.4985 8.6386 125.7514 55.2562 32.0180 175.9569 7 K 4.7629 8.4327 121.0304 55.8758 32.4869 177.2986 8 I 4.3102 8.7785 127.4853 60.7750 38.9801 175.4979 9 K 4.9428 8.3373 121.8568 55.5141 35.3299 175.4965 10 L 4.8962 9.0710 125.7698 53.5205 43.4711 175.7012 11 V 4.7605 9.2573 125.2527 60.8106 33.9935 174.8079 12 S 3.0070 8.5053 123.2991 58.0127 61.9452 174.4383 13 S 4.2164 8.1518 122.2110 60.9038 63.5461 174.5046 14 A 4.1688 7.2225 122.3987 51.8320 18.6348 177.1804 15 G 3.6851 8.7572 106.4981 48.8836 0.0000 174.6180 16 T 3.7405 7.6600 108.1561 61.0163 69.2158 173.7378 17 G 3.7993 8.6013 112.0858 46.6856 0.0000 173.2634 18 H 4.6451 7.7941 120.6313 56.6906 31.1761 173.9863 19 F 5.5997 7.6142 116.4344 56.2203 40.6611 173.4758 20 Y 4.2407 8.9847 119.8219 57.6777 40.1035 174.3239 21 T 4.9752 8.2409 114.5012 61.6194 70.2525 172.4837 22 T 4.6920 8.5412 123.3675 61.6736 70.8383 171.8007 23 T 5.4421 8.4884 109.4316 60.3665 72.4856 172.7187 24 K 4.5455 8.7424 120.1365 55.8070 37.2203 175.2161 25 N 4.5202 8.7143 119.5659 51.9473 37.6601 174.7531 26 K 3.6972 8.6565 126.8621 59.4030 31.8832 177.5395 27 R 4.0922 7.2903 117.7032 58.7035 30.4424 178.3933 28 T 4.1906 7.7582 105.0043 61.9947 68.9188 175.5206 29 K 4.6178 8.0624 115.1346 56.3424 35.2570 173.8434 30 P 4.5006 0.0000 0.0000 64.8974 32.3916 177.6898 31 E 3.9822 7.9745 117.2090 55.6622 29.9503 176.5090 32 K 4.2825 8.8084 121.5506 55.6309 31.9810 176.7560 33 L 4.1571 8.4842 125.5708 55.6698 40.9449 176.2192 34 E 5.1464 8.3335 122.2685 54.6619 32.9432 174.8268 35 L 4.4972 8.4059 121.0070 54.8608 44.3203 173.9477 36 K 4.8121 8.6130 119.4991 56.5758 33.0718 176.5166 37 K 4.4499 8.6977 121.6766 54.8338 37.3746 174.6810 38 F 4.7034 8.4225 123.9712 57.9013 40.4294 173.9027 39 D 4.8602 8.8214 126.4460 51.3039 42.1184 175.1066 40 P 4.1605 0.0000 0.0000 64.4005 32.1654 177.6430 41 V 3.7381 7.6762 111.5077 63.0889 31.7554 176.7586 42 V 4.0710 8.3692 117.3062 61.7120 31.8514 175.2774 43 R 3.7568 7.6175 115.8956 57.1359 27.9389 175.4006 44 Q 4.9213 7.3199 113.5809 54.9478 34.2249 174.5374 45 H 5.0678 9.0335 119.2291 55.9169 29.6877 174.9954 46 V 4.6676 8.8457 122.2365 60.7485 36.1233 174.3517 47 I 4.2717 8.4042 124.7166 61.7310 37.9409 174.5411 48 Y 4.9954 9.0502 124.3668 56.2509 40.6807 174.9603 49 K 4.7206 8.7751 125.1573 54.8843 36.2660 172.4589 50 E 4.2781 9.6116 122.9860 56.4624 30.6843 174.0462 51 A 4.6369 8.4655 125.6460 52.2711 20.9192 176.4300 52 K 4.2123 8.2651 125.5670 57.2972 32.1811 176.4080 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 3 G 8.20 3.86 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 0.00 0.00 0.00 4 I 8.29 3.10 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 1.30 0.64 0.91 0.00 0.00 5 R 9.76 4.34 0.00 1.86 1.97 0.00 3.26 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 6 E 8.64 4.50 0.00 1.99 1.85 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 2.29 2.29 0.00 7 K 8.43 4.76 0.00 1.67 1.82 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.49 7.81 8 I 8.78 4.31 2.01 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 1.30 1.38 0.97 0.00 0.00 9 K 8.34 4.94 0.00 1.80 1.85 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.36 7.81 10 L 9.07 4.90 0.00 1.93 1.92 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 11 V 9.26 4.76 2.08 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 0.91 0.00 0.00 1.00 0.00 0.00 12 S 8.51 3.01 0.00 3.71 3.78 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 13 S 8.15 4.22 0.00 3.90 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 0.00 14 A 7.22 4.17 1.22 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 0.00 0.00 0.00 15 G 8.76 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.66 3.74 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 1.26 0.00 0.00 17 G 8.60 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 18 H 7.79 4.65 0.00 3.27 3.39 0.00 5.62 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.61 5.60 0.00 3.38 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 20 Y 8.98 4.24 0.00 2.83 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 21 T 8.24 4.98 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 1.18 0.00 0.00 22 T 8.54 4.69 4.28 0.00 0.00 0.00 0.00 0.00 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 23 T 8.49 5.44 4.29 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 1.27 0.00 0.00 24 K 8.74 4.55 0.00 1.82 1.92 0.00 1.38 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.34 1.40 7.81 25 N 8.71 4.52 0.00 2.75 2.77 0.00 0.00 6.47 6.75 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 26 K 8.66 3.70 0.00 1.86 1.86 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.56 7.81 27 R 7.29 4.09 0.00 2.10 1.82 0.00 3.18 0.00 0.00 3.22 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 28 T 7.76 4.19 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 29 K 8.06 4.62 0.00 1.82 1.75 0.00 1.94 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.27 1.40 7.81 30 P 0.00 4.50 0.00 2.18 2.18 0.00 3.77 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 31 E 7.97 3.98 0.00 2.10 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 2.28 2.28 0.00 32 K 8.81 4.28 0.00 1.78 1.85 0.00 1.81 0.00 0.00 2.42 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.40 7.81 33 L 8.48 4.16 0.00 1.75 1.71 0.94 0.64 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 34 E 8.33 5.15 0.00 1.86 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 2.22 2.45 0.00 35 L 8.41 4.50 0.00 1.69 1.72 0.90 0.88 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 36 K 8.61 4.81 0.00 1.72 1.88 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.76 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.52 7.81 37 K 8.70 4.45 0.00 0.79 0.74 0.00 1.27 0.00 0.00 0.68 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.93 1.05 7.81 38 F 8.42 4.70 0.00 2.71 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 D 8.82 4.86 0.00 2.87 2.53 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 0.00 0.00 0.00 0.00 40 P 0.00 4.16 0.00 2.19 2.21 0.00 3.37 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.77 0.00 41 V 7.68 3.74 2.06 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 0.66 0.00 0.00 0.90 0.00 0.00 42 V 8.37 4.07 2.16 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 0.74 0.00 0.00 0.89 0.00 0.00 43 R 7.62 3.76 0.00 1.97 2.12 0.00 3.36 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.90 0.00 44 Q 7.32 4.92 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.02 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 45 H 9.03 5.07 0.00 3.11 3.36 0.00 5.84 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.85 4.67 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 0.96 0.00 0.00 1.01 0.00 0.00 47 I 8.40 4.27 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.90 0.95 0.00 0.00 48 Y 9.05 5.00 0.00 3.04 2.92 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 0.00 0.00 0.00 49 K 8.78 4.72 0.00 1.81 1.66 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.36 7.81 50 E 9.61 4.28 0.00 2.14 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 0.00 2.20 2.48 0.00 51 A 8.47 4.64 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.27 4.21 0.00 1.93 1.82 0.00 1.89 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.46 7.81