NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4039 8.3044 120.3485 55.1377 33.3504 174.6147 2 V 3.5181 8.7787 126.7242 64.9432 31.6012 174.4643 3 I 4.5123 7.9560 121.5312 59.4521 40.4807 174.3024 4 A 4.6892 8.8397 128.6166 50.6186 21.2034 177.5909 5 T 3.8895 8.6159 116.3671 67.2847 68.2576 176.6290 6 D 4.7098 8.0799 118.0107 56.8832 40.9022 177.6936 7 D 4.5644 8.2262 118.4907 55.6684 41.3068 176.7870 8 L 4.7062 8.2365 119.7649 55.5881 43.8954 176.2467 9 E 5.2665 7.9458 113.9806 55.2252 32.9764 174.5397 10 T 4.7946 8.9779 110.0269 59.9652 72.9353 173.1563 11 T 4.3212 8.5599 118.7565 64.2354 69.3736 173.6146 12 C 4.3526 8.8764 127.0177 58.7048 31.9374 172.8754 13 P 4.3651 0.0000 0.0000 65.6019 31.5162 177.5328 14 N 4.4832 8.2854 116.2003 55.5995 38.6641 175.4163 15 C 4.5169 7.9492 110.1133 57.1491 30.7005 173.8245 16 N 4.1398 9.0080 116.7824 54.5112 35.9462 175.2301 17 G 4.0167 8.5294 105.8491 45.2392 0.0000 175.2969 18 S 4.1520 7.5873 114.3609 59.0766 63.5713 175.7979 19 G 3.9665 8.4175 108.2491 45.2980 0.0000 172.7130 20 R 5.0372 7.7445 117.4379 54.4898 34.1281 175.1922 21 E 4.6867 9.2572 118.9889 56.8658 29.6816 174.9000 22 E 4.0065 7.5188 117.3687 55.2992 30.6152 175.8557 23 P 4.7459 0.0000 0.0000 62.8618 31.9423 175.1438 24 E 4.7803 7.7064 117.8613 54.0109 32.5978 173.8705 25 P 4.6131 0.0000 0.0000 62.4070 32.3386 175.8882 26 C 4.2090 8.8318 121.6964 58.9240 31.8151 173.0217 27 P 4.3084 0.0000 0.0000 65.2885 31.2027 177.5809 28 K 4.1530 8.0111 118.4389 58.1924 32.5053 176.7648 29 C 4.7462 7.7695 110.7050 56.4685 30.3476 173.3995 30 L 3.6841 8.8427 119.7715 56.4060 40.5184 175.4089 31 G 3.9994 8.4603 103.0055 45.1582 0.0000 175.3229 32 K 4.0033 8.0751 119.3720 57.2526 32.4941 178.5595 33 G 4.0136 8.7136 106.1177 45.3378 0.0000 172.8040 34 V 5.1824 7.2883 111.0001 59.5575 36.0290 174.2301 35 I 4.6986 8.8514 115.5391 58.9753 41.2115 174.4193 36 L 4.8984 8.3826 122.3188 54.5092 42.9723 177.1729 37 T 4.3633 8.3546 112.7682 60.6814 71.0632 175.5855 38 A 3.9698 8.5939 122.2374 55.3253 18.2742 179.4268 39 Q 3.9949 8.1056 117.7775 59.3322 29.1286 178.6264 40 G 3.6064 8.1091 106.8171 47.8066 0.0000 175.6820 41 S 4.1364 8.3030 115.5993 61.2972 62.4575 176.4006 42 T 3.8899 8.0922 118.5056 66.6439 68.2569 176.6765 43 L 4.0591 7.9042 120.8063 57.7055 41.6268 179.3506 44 L 3.9803 8.2647 120.5790 58.4045 42.0893 178.2820 45 H 4.0657 8.4110 118.2280 59.3175 29.7780 176.6160 46 F 4.2648 8.2626 122.0424 61.5658 39.1805 176.9183 47 I 3.3959 8.0060 119.0455 64.3518 37.0109 178.5005 48 K 3.8138 8.1040 119.1399 59.3577 31.6771 179.1093 49 K 3.5922 7.6104 118.3417 59.6981 32.1467 177.8456 50 H 4.3588 7.5940 113.7761 56.8116 29.0273 176.5995 51 I 4.1315 7.5977 120.3085 60.3035 38.8996 175.1299 52 H 4.0372 8.6166 115.5745 54.7922 26.6907 174.3093 53 E 4.7315 8.2672 123.4112 56.3989 29.9932 176.0152 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 4.40 0.00 1.99 2.05 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 2.48 2.66 0.00 2 V 8.78 3.52 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 0.82 0.00 0.00 0.92 0.00 0.00 3 I 7.96 4.51 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 8.84 4.69 1.25 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 0.00 0.00 5 T 8.62 3.89 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 8.08 4.71 0.00 2.62 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 4.56 0.00 2.84 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 8 L 8.24 4.71 0.00 1.69 1.69 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 9 E 7.95 5.27 0.00 2.04 1.86 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 2.33 2.31 0.00 10 T 8.98 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 8.56 4.32 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 12 C 8.88 4.35 0.00 3.02 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 13 P 0.00 4.37 0.00 2.22 2.17 0.00 3.82 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 14 N 8.29 4.48 0.00 2.72 2.92 0.00 0.00 6.78 7.66 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 15 C 7.95 4.52 0.00 3.15 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 16 N 9.01 4.14 0.00 2.93 2.96 0.00 0.00 7.18 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 17 G 8.53 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 18 S 7.59 4.15 0.00 3.96 4.01 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 19 G 8.42 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 20 R 7.74 5.04 0.00 1.78 1.80 0.00 3.28 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 21 E 9.26 4.69 0.00 1.88 1.76 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 2.19 2.26 0.00 22 E 7.52 4.01 0.00 2.01 1.86 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 2.32 2.30 0.00 23 P 0.00 4.75 0.00 2.17 2.12 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 24 E 7.71 4.78 0.00 2.01 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 2.21 2.34 0.00 25 P 0.00 4.61 0.00 2.18 2.05 0.00 3.77 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 1.99 1.95 0.00 26 C 8.83 4.21 0.00 2.95 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 27 P 0.00 4.31 0.00 2.08 2.10 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 2.03 2.07 0.00 28 K 8.01 4.15 0.00 1.72 1.83 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.42 7.81 29 C 7.77 4.75 0.00 3.24 3.07 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 30 L 8.84 3.68 0.00 1.75 1.73 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.46 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 4.00 0.00 1.88 1.88 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.39 7.81 33 G 8.71 4.01 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 0.00 0.00 0.00 34 V 7.29 5.18 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 0.78 0.00 0.00 0.99 0.00 0.00 35 I 8.85 4.70 1.88 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 1.35 1.32 0.91 0.00 0.00 36 L 8.38 4.90 0.00 1.56 1.64 0.94 0.92 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 37 T 8.35 4.36 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 1.24 0.00 0.00 38 A 8.59 3.97 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.11 3.99 0.00 2.17 2.29 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 2.49 0.00 40 G 8.11 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 8.30 4.14 0.00 3.96 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 42 T 8.09 3.89 4.40 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 1.20 0.00 0.00 43 L 7.90 4.06 0.00 1.75 1.78 0.93 0.56 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 44 L 8.26 3.98 0.00 1.88 1.72 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 45 H 8.41 4.07 0.00 3.36 3.52 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 8.26 4.26 0.00 3.26 3.29 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 0.00 47 I 8.01 3.40 1.88 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.76 0.88 0.00 0.00 48 K 8.10 3.81 0.00 1.71 1.78 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.43 7.81 49 K 7.61 3.59 0.00 1.68 1.83 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.16 1.34 7.81 50 H 7.59 4.36 0.00 2.68 3.09 0.00 5.68 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.60 4.13 1.89 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 1.46 0.54 0.91 0.00 0.00 52 H 8.62 4.04 0.00 3.17 3.32 0.00 5.94 0.00 0.00 0.00 0.00 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.27 4.73 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00