NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2173 8.4293 120.2183 55.5161 30.9187 175.4641 4 P 4.2013 0.0000 0.0000 61.4143 32.2885 172.8871 5 E 4.1860 9.1646 120.7981 56.5216 30.9922 178.6867 6 V 4.3401 8.2434 115.7425 60.7024 32.5396 174.2715 7 P 4.9244 0.0000 0.0000 62.9362 32.6329 175.2054 8 F 5.0541 8.1712 114.9611 55.5637 41.8113 173.2949 9 K 4.7794 8.7993 119.7048 56.2041 33.5599 176.3263 10 V 5.0521 8.7847 116.6716 59.5729 36.5959 174.5275 11 V 4.6952 8.5845 121.0426 60.7074 34.6984 174.6127 12 A 4.5004 8.6903 130.3646 52.6365 18.6562 177.9265 13 Q 4.0078 9.3098 121.6758 56.8084 29.7422 175.8294 14 F 5.1315 7.9961 115.6917 54.7440 43.3596 172.6530 15 P 4.8138 0.0000 0.0000 63.3994 32.4145 175.1612 16 Y 4.6917 8.5738 122.2113 55.8465 41.5208 174.2663 17 K 4.8466 8.1839 125.7640 54.5764 35.4312 175.8906 18 S 4.5559 8.9101 118.9357 56.6834 66.1911 173.5452 19 D 4.4887 8.6846 118.3597 54.8828 41.3349 176.2127 20 Y 4.4573 7.3719 118.2891 55.8483 39.4798 176.5255 21 E 4.0203 8.8640 125.4759 59.3934 30.1992 177.4724 22 D 4.6847 8.1952 117.6312 56.4766 41.7425 176.4568 23 D 5.3530 8.0877 118.6295 53.8177 41.9646 175.8316 24 L 4.5609 9.3087 124.7051 54.8350 42.8567 175.7102 25 N 5.2232 8.5895 122.8113 51.7997 41.8712 173.3204 26 F 4.8364 8.0445 114.2505 56.5255 41.7683 172.9335 27 E 4.8316 8.5472 118.9606 54.6923 31.5241 176.0133 28 K 3.9859 8.5825 122.2254 58.5200 32.5316 176.8919 29 D 4.6839 8.8258 123.8135 54.0791 40.0010 174.6246 30 Q 3.8170 7.5033 121.6201 56.0623 29.9484 174.7179 31 E 4.5174 8.5137 128.0321 55.8513 30.4777 175.4976 32 I 4.7242 8.5920 127.3723 59.5142 41.4900 174.4760 33 I 4.4854 8.5051 126.8072 59.7945 38.9428 175.1013 34 V 4.1611 8.4851 129.2038 62.7090 31.6586 176.2361 35 T 4.5587 8.7384 117.9648 61.9664 70.5910 174.5831 36 S 4.6644 7.8597 116.6909 56.9992 66.2324 172.6882 37 V 4.6436 8.4902 127.0573 62.0666 31.4183 175.4522 38 E 4.2409 9.1913 129.3313 59.1803 30.0323 176.3911 39 D 4.4674 7.3405 114.5097 53.3760 41.8149 174.8970 40 A 4.1721 8.8933 120.4864 54.8836 18.8090 178.0441 41 E 4.5914 9.1220 113.5910 55.4601 32.4548 175.8807 42 W 5.1148 8.2421 119.0521 54.9204 33.3660 174.0480 43 Y 5.3278 8.3280 120.8271 56.3846 40.7842 174.2298 44 F 5.3421 9.0515 123.6783 57.0032 42.5557 174.7083 45 G 4.5429 8.3400 111.4167 46.5133 0.0000 171.3389 46 E 5.2484 8.6737 116.9037 55.9073 33.6337 173.3817 47 Y 5.0453 8.2007 117.3598 56.4821 41.9957 173.0217 48 Q 5.0565 8.6466 119.0964 54.4318 30.6117 176.3017 49 D 4.8083 8.9588 124.2628 52.4084 41.2795 176.6873 50 S 4.1052 8.7754 114.5748 62.1978 62.5946 176.4193 51 N 4.6990 8.1119 115.8348 53.8559 38.9587 175.8284 52 G 3.9649 8.2384 103.7751 45.0688 0.0000 174.3317 53 D 4.5448 8.3754 120.8868 53.9295 42.1406 175.7974 54 V 4.1539 8.3069 122.9827 62.7427 32.5715 174.9380 55 I 4.4734 8.5654 129.5876 59.4658 39.0597 174.6348 56 E 4.8792 9.3798 123.8654 53.9397 33.4187 175.1877 57 G 4.1687 7.0256 107.8607 45.6147 0.0000 171.2136 58 I 5.3458 7.9216 113.1340 60.2365 39.9798 174.8500 59 F 5.1548 8.7252 116.7712 55.3373 41.7002 171.4633 60 P 3.7618 0.0000 0.0000 61.9694 31.9433 177.7993 61 K 3.5795 8.2737 124.1589 59.4907 32.0624 179.1870 62 S 4.3590 7.8454 111.1095 60.1358 63.2663 174.5054 63 F 4.7431 8.5619 119.8380 58.0177 39.1682 175.1137 64 V 5.1722 7.9469 112.6961 59.6087 36.0081 174.5598 65 A 4.8774 8.7102 122.9250 49.9061 22.1872 175.8990 66 V 4.1427 8.6105 121.8470 61.7068 32.4918 176.0805 67 Q 4.4344 8.5841 126.2135 56.5011 30.8986 173.1944 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 E 8.43 4.22 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 4 P 0.00 4.20 0.00 1.88 1.78 0.00 3.00 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.46 0.00 5 E 9.16 4.19 0.00 2.01 1.97 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 2.34 2.33 0.00 6 V 8.24 4.34 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 0.81 0.00 0.00 1.04 0.00 0.00 7 P 0.00 4.92 0.00 2.06 2.04 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 8 F 8.17 5.05 0.00 3.12 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 9 K 8.80 4.78 0.00 1.78 1.76 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.47 7.81 10 V 8.78 5.05 2.27 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 0.86 0.00 0.00 0.95 0.00 0.00 11 V 8.58 4.70 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.93 0.00 0.00 12 A 8.69 4.50 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 13 Q 9.31 4.01 0.00 1.55 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.64 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 14 F 8.00 5.13 0.00 2.89 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 15 P 0.00 4.81 0.00 2.15 2.15 0.00 3.98 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 16 Y 8.57 4.69 0.00 2.52 1.43 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 0.00 0.00 0.00 0.00 17 K 8.18 4.85 0.00 1.46 1.51 0.00 1.48 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.26 1.35 7.81 18 S 8.91 4.56 0.00 3.91 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 19 D 8.68 4.49 0.00 2.54 2.43 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 0.00 0.00 0.00 0.00 20 Y 7.37 4.46 0.00 3.09 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 21 E 8.86 4.02 0.00 1.93 2.02 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 2.31 2.29 0.00 22 D 8.20 4.68 0.00 2.70 2.77 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 0.00 0.00 0.00 23 D 8.09 5.35 0.00 2.91 2.98 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 24 L 9.31 4.56 0.00 1.92 2.05 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.59 5.22 0.00 2.61 2.61 0.00 0.00 6.90 7.45 0.00 0.00 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 F 8.04 4.84 0.00 2.89 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 27 E 8.55 4.83 0.00 1.93 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 2.39 2.26 0.00 28 K 8.58 3.99 0.00 1.77 1.75 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.42 7.81 29 D 8.83 4.68 0.00 2.84 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 30 Q 7.50 3.82 0.00 1.97 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 1.28 1.66 0.00 31 E 8.51 4.52 0.00 1.92 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 2.21 2.27 0.00 32 I 8.59 4.72 1.58 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.17 0.83 0.00 0.00 33 I 8.51 4.49 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.94 0.84 0.00 0.00 34 V 8.49 4.16 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.27 0.00 0.00 35 T 8.74 4.56 4.33 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 1.32 0.00 0.00 36 S 7.86 4.66 0.00 3.95 3.90 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 0.00 0.00 0.00 37 V 8.49 4.64 2.23 0.00 0.00 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 0.00 0.00 1.22 0.00 0.00 38 E 9.19 4.24 0.00 2.30 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 2.56 2.53 0.00 39 D 7.34 4.47 0.00 2.74 2.66 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 0.00 0.00 0.00 0.00 40 A 8.89 4.17 1.32 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 0.00 0.00 41 E 9.12 4.59 0.00 1.97 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 42 W 8.24 5.11 0.00 3.20 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 43 Y 8.33 5.33 0.00 1.67 2.32 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 44 F 9.05 5.34 0.00 3.15 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 45 G 8.34 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.67 5.25 0.00 1.96 1.84 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 2.27 2.21 0.00 47 Y 8.20 5.05 0.00 3.02 3.06 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 48 Q 8.65 5.06 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 49 D 8.96 4.81 0.00 2.84 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 50 S 8.78 4.11 0.00 3.90 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 51 N 8.11 4.70 0.00 2.66 2.79 0.00 0.00 7.00 7.98 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 52 G 8.24 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.38 4.54 0.00 2.87 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.31 4.15 2.04 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 0.74 0.00 0.00 0.91 0.00 0.00 55 I 8.57 4.47 0.89 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.51 0.72 0.00 0.00 56 E 9.38 4.88 0.00 1.64 1.71 0.00 0.00 0.00 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 2.37 0.00 57 G 7.03 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 0.00 0.00 0.00 0.00 58 I 7.92 5.35 2.19 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.22 1.16 0.00 0.00 59 F 8.73 5.15 0.00 3.06 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 3.76 0.00 1.78 1.29 0.00 2.40 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.57 0.00 61 K 8.27 3.58 0.00 1.49 1.53 0.00 1.45 0.00 0.00 1.38 0.00 0.00 2.63 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.30 0.75 7.81 62 S 7.85 4.36 0.00 3.97 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.56 4.74 0.00 3.45 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 7.95 5.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.47 0.00 0.00 65 A 8.71 4.88 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.61 4.14 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 0.75 0.00 0.00 0.99 0.00 0.00 67 Q 8.58 4.43 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.32 0.00 0.00 0.00 0.00 0.00 2.17 2.02 0.00