NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6710 8.2648 119.9223 56.3292 41.9809 175.6667 3 E 3.4171 9.2774 116.0250 58.1871 26.8811 175.1519 4 T 4.1831 7.0050 111.7677 61.6197 66.1319 168.1562 5 G 3.9954 9.2305 109.0838 43.9957 0.0000 170.6025 6 K 4.1190 9.0792 125.2072 55.2925 27.8714 178.7462 7 E 4.2596 9.2970 126.5819 56.8481 31.0834 176.3206 8 L 5.4047 8.5660 123.5443 53.1076 46.0198 175.7811 9 V 4.9230 8.9185 113.5447 59.7454 36.5598 174.1844 10 L 4.8251 9.0724 126.8107 53.6764 43.6759 175.6617 11 V 4.1081 8.8293 127.9053 63.0171 31.6784 176.6038 12 L 3.8530 8.5038 129.6604 57.5415 41.9304 177.1059 13 Y 4.8875 7.4041 113.1197 56.1582 42.0202 174.9863 14 D 4.9186 8.8584 121.1982 55.2076 42.1683 175.4532 15 Y 4.8269 9.1784 122.0760 56.3644 42.5690 173.2097 16 Q 4.8539 7.8533 128.1161 53.9215 30.4459 174.8738 17 E 4.4314 8.8562 125.3356 57.0248 29.6363 177.1187 18 K 4.4975 9.3537 119.2295 56.0887 34.9795 176.5413 19 S 4.8391 7.6207 113.2427 55.6231 65.9815 173.1367 20 P 4.3818 0.0000 0.0000 64.7403 31.3619 177.5350 21 R 4.4445 7.8797 113.8524 56.0094 29.9518 175.3754 22 E 5.3191 7.8830 118.2425 55.4398 31.8041 175.3903 23 V 4.7097 8.5310 113.4564 60.1244 35.8063 175.3127 24 T 5.0058 8.6518 119.1735 62.3554 69.8495 174.3540 25 I 4.7780 8.7889 119.0960 59.0742 41.2655 174.3822 26 K 4.9269 8.4573 122.7967 54.5931 34.1430 176.2271 27 K 4.0504 9.5676 126.3266 57.8867 32.6013 177.3629 28 G 3.9437 9.0545 113.7056 45.4374 0.0000 173.1976 29 D 4.7351 7.6909 120.1225 53.6911 42.6893 175.4699 30 I 4.9010 8.2604 122.4083 59.8674 38.8354 174.9383 31 L 4.9607 8.9764 126.6613 52.7330 46.5109 175.9793 32 T 4.5080 8.3376 117.3570 63.5329 69.6756 173.5116 33 L 4.5025 9.1406 130.5126 54.3856 42.0179 176.0788 34 L 4.3221 8.5594 127.1481 56.6664 43.2079 177.0286 35 N 4.4334 7.6643 116.2035 52.6065 41.8091 174.8863 36 S 3.6504 8.1554 121.8205 57.7296 63.4176 175.4924 37 T 3.9432 8.5303 114.6946 65.0083 67.6896 174.5208 38 N 4.7134 8.1354 121.0483 52.3019 39.8983 175.1316 39 K 4.3118 9.0910 126.9255 59.3715 32.6034 176.9809 40 D 4.4102 8.6418 117.1952 54.1203 41.9711 175.7701 41 W 5.3603 8.0697 118.4084 54.7021 32.0119 174.9777 42 W 5.3265 8.8736 125.1288 54.8675 31.8563 175.0149 43 K 4.4256 8.6473 125.0286 55.4276 33.5963 175.4532 44 I 5.1117 8.5409 119.1942 59.6333 41.9181 172.8484 45 E 5.1569 8.6973 123.0428 54.4115 31.9839 175.4860 46 V 4.3932 8.4930 125.5338 62.2694 35.3704 174.1183 47 N 3.9347 8.5006 125.1887 55.0459 37.1525 174.9160 48 D 4.9950 8.6789 121.1704 54.4374 40.1397 176.0799 49 R 4.8578 8.1285 117.2382 55.6684 34.6145 174.8008 50 Q 4.8920 8.5251 119.4131 54.0715 32.6489 174.8313 51 G 4.0088 8.0522 108.8916 46.4622 0.0000 171.8240 52 F 5.8102 8.5452 118.1466 56.3384 41.1946 175.8248 53 V 4.6946 8.2322 112.6626 59.6686 36.8001 171.9041 54 P 3.2328 0.0000 0.0000 61.8488 31.7457 178.0080 55 A 2.8397 7.8213 125.6451 54.7188 18.2281 179.5315 56 A 3.9927 7.3959 116.6517 54.3998 18.7606 177.3721 57 Y 4.7868 7.7640 113.3749 57.6011 38.1468 174.8132 58 L 5.2050 7.4664 118.6076 52.9384 46.2661 175.5258 59 K 4.5806 8.9692 123.3201 54.3392 35.1294 174.8488 60 K 4.5327 8.8555 128.9034 56.2384 33.0494 176.0488 61 L 4.5834 8.7483 129.0230 53.7873 41.9785 176.7021 62 D 4.2279 8.3116 122.8608 53.6304 39.1595 175.2719 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 2 D 8.26 4.67 0.00 2.66 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 E 9.28 3.42 0.00 2.10 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 0.00 2.23 2.34 0.00 4 T 7.01 4.18 4.36 0.00 0.00 0.00 0.00 0.00 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 5 G 9.23 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 6 K 9.08 4.12 0.00 1.81 1.77 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.27 1.45 7.81 7 E 9.30 4.26 0.00 1.87 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 8 L 8.57 5.40 0.00 1.56 1.53 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.92 4.92 2.24 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 0.91 0.00 0.00 1.05 0.00 0.00 10 L 9.07 4.83 0.00 1.70 1.51 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.83 4.11 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.02 0.00 0.00 12 L 8.50 3.85 0.00 0.88 0.48 0.77 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 7.40 4.89 0.00 2.27 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 14 D 8.86 4.92 0.00 2.68 2.71 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 0.00 0.00 0.00 15 Y 9.18 4.83 0.00 3.24 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 16 Q 7.85 4.85 0.00 1.95 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.71 0.00 0.00 0.00 0.00 0.00 2.18 2.29 0.00 17 E 8.86 4.43 0.00 2.09 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 0.00 2.32 2.32 0.00 18 K 9.35 4.50 0.00 1.88 1.84 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.43 7.81 19 S 7.62 4.84 0.00 3.72 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.38 0.00 2.02 2.11 0.00 3.61 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 21 R 7.88 4.44 0.00 1.99 2.08 0.00 2.40 0.00 0.00 3.04 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 22 E 7.88 5.32 0.00 2.11 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 0.00 2.29 2.24 0.00 23 V 8.53 4.71 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 0.75 0.00 0.00 1.08 0.00 0.00 24 T 8.65 5.01 4.30 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 1.33 0.00 0.00 25 I 8.79 4.78 1.97 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.94 1.01 0.00 0.00 26 K 8.46 4.93 0.00 1.81 1.78 0.00 1.62 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.52 7.81 27 K 9.57 4.05 0.00 1.89 1.73 0.00 1.84 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.42 7.81 28 G 9.05 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 29 D 7.69 4.74 0.00 2.84 2.61 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 30 I 8.26 4.90 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 0.84 0.92 0.00 0.00 31 L 8.98 4.96 0.00 1.55 1.72 0.97 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.34 4.51 4.23 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 0.00 0.00 0.00 1.27 0.00 0.00 33 L 9.14 4.50 0.00 1.60 1.65 0.88 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.56 4.32 0.00 1.59 1.62 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 35 N 7.66 4.43 0.00 2.65 2.55 0.00 0.00 6.79 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.16 3.65 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.53 3.94 4.25 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 1.22 0.00 0.00 38 N 8.14 4.71 0.00 2.95 3.31 0.00 0.00 6.84 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 39 K 9.09 4.31 0.00 1.85 1.92 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.55 7.81 40 D 8.64 4.41 0.00 2.76 2.30 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 41 W 8.07 5.36 0.00 3.39 3.37 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 0.00 42 W 8.87 5.33 0.00 3.25 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 43 K 8.65 4.43 0.00 1.14 1.37 0.00 1.37 0.00 0.00 1.53 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.00 0.35 7.81 44 I 8.54 5.11 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.53 1.04 0.00 0.00 45 E 8.70 5.16 0.00 1.96 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.38 0.00 46 V 8.49 4.39 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.98 0.00 0.00 47 N 8.50 3.93 0.00 2.91 2.25 0.00 0.00 7.07 8.06 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 48 D 8.68 4.99 0.00 2.78 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 49 R 8.13 4.86 0.00 1.86 1.83 0.00 3.09 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 50 Q 8.53 4.89 0.00 1.86 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.97 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 51 G 8.05 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 52 F 8.55 5.81 0.00 3.12 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 53 V 8.23 4.69 1.74 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 0.90 0.00 0.00 0.89 0.00 0.00 54 P 0.00 3.23 0.00 1.24 1.03 0.00 2.28 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.80 0.00 55 A 7.82 2.84 0.09 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 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.40 3.99 1.24 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 0.00 0.00 0.00 57 Y 7.76 4.79 0.00 3.04 3.01 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 58 L 7.47 5.21 0.00 1.39 1.53 1.06 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.97 4.58 0.00 1.71 1.59 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.33 7.81 60 K 8.86 4.53 0.00 2.10 1.82 0.00 1.88 0.00 0.00 1.56 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.58 1.52 7.81 61 L 8.75 4.58 0.00 1.70 1.63 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.31 4.23 0.00 2.71 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