NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.3144 8.2493 123.5808 50.9865 19.1766 176.5632 7 P 4.3139 0.0000 0.0000 61.9792 32.1380 175.3365 8 D 4.9388 8.6404 121.8528 52.3105 44.0579 177.5438 9 F 3.9208 8.6955 119.2635 62.5003 39.3091 177.8316 10 H 4.4776 8.1731 115.2015 58.8135 28.3683 177.3131 11 D 4.3224 8.7465 120.1904 57.4517 40.7871 178.8392 12 K 3.7720 7.6512 117.3510 58.7389 32.1931 178.1968 13 Y 4.8099 7.8950 115.0412 57.5194 39.5882 178.2243 14 G 4.1147 8.1694 107.9891 48.0460 0.0000 175.4531 15 N 4.3386 8.1805 118.6640 55.8464 38.6951 177.2642 16 A 4.0099 7.9847 121.6260 55.0349 18.5250 179.5310 17 V 3.5470 8.0869 116.9427 66.0761 31.5527 177.8811 18 L 3.9344 8.1641 119.7399 58.1663 41.9697 178.8048 19 A 4.0074 7.9856 120.7258 55.3700 18.3706 179.8301 20 S 4.3521 8.7343 113.1575 60.9712 63.1973 176.8060 21 G 3.7002 8.6568 109.9554 47.8138 0.0000 175.5221 22 A 4.0683 8.3928 124.2815 54.9516 18.4387 179.9160 23 T 3.8468 7.9724 114.1906 66.7123 68.5172 176.5172 24 F 4.2047 8.5089 122.7754 61.6290 39.4208 176.4467 25 C 3.9174 8.7231 118.3760 62.7353 31.2756 175.8277 26 V 3.6444 7.9440 119.3290 65.8088 31.0395 177.9123 27 A 4.0080 7.8898 120.7437 55.2584 18.3628 180.0994 28 V 3.5385 7.7962 118.0057 64.6865 31.3306 178.6371 29 W 4.0785 8.4284 119.6952 59.1915 28.8417 178.6790 30 V 3.6286 8.2556 118.5477 66.1602 31.0075 177.0030 31 Y 4.1028 8.1559 119.3501 61.2429 38.3388 177.8524 32 M 3.8426 8.4201 117.3645 58.9109 32.3641 177.8561 33 A 4.7130 8.3465 119.7619 54.3236 18.7144 178.0227 34 T 4.5540 7.9507 104.7942 61.4582 70.5278 174.7513 35 Q 4.3782 8.1414 119.8524 55.5460 29.1633 175.6784 36 I 4.2548 7.2690 109.5841 60.0502 38.2388 176.0660 37 G 3.8189 8.2967 107.3051 46.0553 0.0000 173.9991 38 I 3.2711 7.4570 120.1479 61.2578 37.2218 175.3892 39 E 4.2720 8.1704 126.5542 54.3841 28.7787 175.6192 40 W 4.2406 8.6042 127.1753 57.6799 30.0566 176.1431 41 N 4.1391 8.5526 116.5606 53.9377 36.7824 170.7092 42 P 4.6246 0.0000 0.0000 61.4782 33.2572 176.4875 43 S 4.1209 8.4800 113.0887 58.4720 62.4772 172.0922 44 P 4.4622 0.0000 0.0000 62.8158 32.1460 175.4004 45 V 3.6331 7.7228 120.8082 64.5290 31.2328 176.3954 46 G 4.0534 8.9563 115.0892 45.8286 0.0000 173.1523 47 R 4.4076 7.4948 114.7164 56.2021 31.3466 176.5022 48 V 4.1421 7.9184 118.0066 61.2708 32.7049 175.0751 49 T 4.3628 8.2819 123.7913 61.5183 68.6976 173.0583 50 P 4.4186 0.0000 0.0000 62.3325 32.0351 175.8800 51 K 4.6725 8.3027 122.4740 53.9521 34.9484 175.5429 52 E 4.0576 8.8850 124.5662 56.7636 29.8718 176.8082 53 W 4.7209 8.2098 119.2032 57.0345 30.5030 175.6033 54 R 3.9414 6.6644 118.7275 55.9359 29.0374 175.9605 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 6 A 8.25 4.31 1.28 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 0.00 0.00 0.00 7 P 0.00 4.31 0.00 2.18 2.02 0.00 3.72 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 1.92 1.96 0.00 8 D 8.64 4.94 0.00 2.99 2.90 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 9 F 8.70 3.92 0.00 3.21 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 H 8.17 4.48 0.00 3.38 3.44 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.75 4.32 0.00 2.72 2.67 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 0.00 0.00 0.00 0.00 12 K 7.65 3.77 0.00 0.79 0.74 0.00 1.21 0.00 0.00 1.43 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.14 1.40 7.81 13 Y 7.90 4.81 0.00 2.18 2.60 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 14 G 8.17 4.11 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 0.00 0.00 0.00 15 N 8.18 4.34 0.00 2.75 2.89 0.00 0.00 6.92 7.76 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 16 A 7.98 4.01 1.36 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 0.00 0.00 0.00 17 V 8.09 3.55 2.33 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 1.08 0.00 0.00 1.15 0.00 0.00 18 L 8.16 3.93 0.00 1.95 1.87 0.95 1.21 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 19 A 7.99 4.01 1.36 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 0.00 0.00 0.00 20 S 8.73 4.35 0.00 4.04 4.16 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 21 G 8.66 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.39 4.07 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.97 3.85 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 1.28 0.00 0.00 24 F 8.51 4.20 0.00 3.13 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 C 8.72 3.92 0.00 3.19 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 26 V 7.94 3.64 2.18 0.00 0.00 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 0.94 0.00 0.00 27 A 7.89 4.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.80 3.54 1.72 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 0.35 0.00 0.00 0.76 0.00 0.00 29 W 8.43 4.08 0.00 3.51 3.40 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 0.00 30 V 8.26 3.63 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 1.05 0.00 0.00 1.01 0.00 0.00 31 Y 8.16 4.10 0.00 3.07 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 32 M 8.42 3.84 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 33 A 8.35 4.71 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.95 4.55 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 1.24 0.00 0.00 35 Q 8.14 4.38 0.00 0.93 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.07 0.00 0.00 0.00 0.00 0.00 2.19 2.39 0.00 36 I 7.27 4.25 1.76 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.53 0.52 0.00 0.00 37 G 8.30 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.46 3.27 1.51 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.35 -0.38 0.00 0.00 39 E 8.17 4.27 0.00 1.82 1.78 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 2.21 2.35 0.00 40 W 8.60 4.24 0.00 3.39 3.27 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 41 N 8.55 4.14 0.00 2.78 2.84 0.00 0.00 7.21 8.54 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 42 P 0.00 4.62 0.00 2.24 2.09 0.00 3.92 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 43 S 8.48 4.12 0.00 3.85 3.83 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 0.00 0.00 0.00 44 P 0.00 4.46 0.00 2.26 2.27 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 45 V 7.72 3.63 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 0.93 0.00 0.00 0.93 0.00 0.00 46 G 8.96 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.49 4.41 0.00 1.97 2.03 0.00 3.07 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 48 V 7.92 4.14 2.20 0.00 0.00 0.00 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 0.94 0.00 0.00 49 T 8.28 4.36 4.26 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 0.00 0.00 0.00 1.23 0.00 0.00 50 P 0.00 4.42 0.00 2.09 2.04 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 51 K 8.30 4.67 0.00 1.71 1.70 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.44 7.81 52 E 8.89 4.06 0.00 1.97 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 2.31 2.22 0.00 53 W 8.21 4.72 0.00 3.50 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.66 3.94 0.00 1.29 0.66 0.00 2.46 0.00 0.00 2.88 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.11 0.00