NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6384 8.2076 120.5329 54.4489 43.2937 177.3439 2 Y 4.0565 8.1308 118.1363 59.7919 37.6609 176.9865 3 L 3.7331 7.7719 121.5332 57.1363 42.1574 180.6844 4 R 3.8422 7.6259 117.7608 59.2282 30.1305 178.2694 5 E 3.9556 8.7779 119.3985 59.3453 29.4846 179.0819 6 L 3.9922 7.7713 118.7623 57.7522 41.7403 178.8717 7 L 4.1148 7.8408 120.2381 58.0408 41.7661 179.0709 8 K 3.9778 8.1178 119.3913 59.1800 32.3118 178.7517 9 L 4.0217 8.0262 119.2745 57.7866 41.4453 179.2996 10 E 4.0011 8.6691 118.8901 59.5955 29.2327 179.5019 11 L 3.9955 7.5064 117.4561 57.8821 41.9213 179.3575 12 Q 4.1392 8.1601 118.1877 58.6693 28.5918 178.0908 13 L 4.0132 8.4422 122.1571 58.1061 42.1219 178.7386 14 I 3.8626 8.2218 113.2536 64.4039 37.1220 177.8574 15 K 3.8788 7.7488 119.5656 59.3565 31.9152 178.6722 16 Q 3.9562 7.9746 119.4124 59.1206 29.0274 177.3259 17 Y 4.2660 7.7672 117.8833 61.4815 37.7763 179.1685 18 R 4.0379 8.6987 118.4158 59.0294 30.4487 178.2907 19 E 4.1140 8.6343 119.6167 59.3378 29.4982 178.8564 20 A 4.1835 7.9027 120.8622 55.0310 17.2241 179.2243 21 L 4.3229 8.0461 116.3446 56.7664 41.4538 179.1779 22 E 4.0818 7.9080 118.1146 58.5490 29.3172 177.5929 23 Y 4.5508 7.2174 115.2592 57.4126 39.9159 176.5544 24 V 4.5215 7.7379 111.9735 59.5498 34.7413 176.7489 25 K 4.2673 8.4992 125.1507 54.8167 30.6629 175.0720 26 L 4.5742 7.5416 120.2114 51.7365 42.3677 175.1230 27 P 4.2600 0.0000 0.0000 65.7102 31.2407 178.5317 28 V 3.6821 7.7332 117.3401 64.4722 31.5132 178.3531 29 L 3.9195 8.0453 119.4607 57.6805 41.4529 179.3952 30 A 4.0162 7.8612 119.7853 54.5045 17.9315 179.1850 31 K 3.9304 7.7547 118.1303 58.9752 32.2577 179.0543 32 I 3.4871 7.6007 120.2689 64.1967 36.9174 177.7766 33 L 3.6040 7.1688 121.1754 58.3459 41.8443 178.6134 34 E 3.7876 7.7789 118.5848 59.3794 29.1909 178.5921 35 D 4.0590 7.4789 118.2474 57.3505 40.8087 178.4864 36 E 3.7565 7.9217 119.0204 59.4256 29.4799 179.2442 37 E 3.8176 8.1864 118.6685 59.1500 29.4761 179.3119 38 K 3.4377 7.6554 119.3930 59.8565 31.7219 178.3147 39 H 3.6438 8.4413 117.1640 58.9438 28.5565 177.3223 40 I 3.9845 7.6529 121.0039 63.3540 37.2470 177.8430 41 E 4.2499 7.6903 121.3322 58.3806 29.4064 178.8696 42 W 4.4533 7.9125 119.1901 59.6854 29.0335 178.3415 43 L 4.0476 7.7479 117.9836 58.0270 40.7102 179.5491 44 E 3.9724 8.2605 118.3246 59.5801 29.3775 179.3865 45 T 3.9476 8.4356 116.4640 66.7592 68.4527 176.3963 46 I 4.0020 8.0441 112.5033 62.7839 37.9461 177.3056 47 L 4.1749 8.0411 120.5078 55.6472 41.7014 176.8853 48 G 4.0162 7.8415 112.7031 45.5803 0.0000 173.1677 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 D 8.21 4.64 0.00 2.81 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 2 Y 8.13 4.06 0.00 3.32 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.77 3.73 0.00 1.34 1.51 0.73 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.63 3.84 0.00 1.83 1.95 0.00 3.13 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 5 E 8.78 3.96 0.00 2.16 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 0.00 2.35 2.44 0.00 6 L 7.77 3.99 0.00 1.70 1.72 1.02 0.87 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 7 L 7.84 4.11 0.00 1.84 1.89 0.92 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.12 3.98 0.00 1.88 1.94 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.18 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 9 L 8.03 4.02 0.00 1.76 1.72 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.67 4.00 0.00 1.94 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 2.48 2.53 0.00 11 L 7.51 4.00 0.00 1.78 1.74 0.95 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.16 4.14 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.63 0.00 13 L 8.44 4.01 0.00 1.94 1.87 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.22 3.86 1.91 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 1.63 0.68 0.97 0.00 0.00 15 K 7.75 3.88 0.00 1.91 1.97 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.45 7.81 16 Q 7.97 3.96 0.00 2.23 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.65 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 17 Y 7.77 4.27 0.00 3.30 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.70 4.04 0.00 1.87 2.01 0.00 3.19 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.88 0.00 19 E 8.63 4.11 0.00 2.04 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 0.00 2.38 2.53 0.00 20 A 7.90 4.18 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 21 L 8.05 4.32 0.00 1.75 1.74 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.91 4.08 0.00 1.42 1.60 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 2.25 2.49 0.00 23 Y 7.22 4.55 0.00 3.24 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 V 7.74 4.52 2.13 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 0.77 0.00 0.00 1.04 0.00 0.00 25 K 8.50 4.27 0.00 1.73 1.78 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.51 7.81 26 L 7.54 4.57 0.00 1.71 1.62 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.26 0.00 2.14 2.12 0.00 3.60 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 28 V 7.73 3.68 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 0.87 0.00 0.00 0.93 0.00 0.00 29 L 8.05 3.92 0.00 2.08 1.81 1.07 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.86 4.02 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 31 K 7.75 3.93 0.00 1.87 1.96 0.00 1.48 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.44 7.81 32 I 7.60 3.49 1.38 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.35 0.20 0.00 0.00 33 L 7.17 3.60 0.00 1.77 1.65 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.78 3.79 0.00 2.08 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 2.22 2.28 0.00 35 D 7.48 4.06 0.00 2.68 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 36 E 7.92 3.76 0.00 1.96 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 0.00 2.31 2.42 0.00 37 E 8.19 3.82 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 38 K 7.66 3.44 0.00 1.62 1.24 0.00 1.55 0.00 0.00 1.59 0.00 0.00 3.25 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.72 0.96 7.81 39 H 8.44 3.64 0.00 3.06 3.37 0.00 5.68 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.65 3.98 1.95 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.68 0.86 0.00 0.00 41 E 7.69 4.25 0.00 1.97 1.91 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 2.40 2.24 0.00 42 W 7.91 4.45 0.00 3.49 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 43 L 7.75 4.05 0.00 1.88 1.73 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.26 3.97 0.00 2.17 2.00 0.00 0.00 0.00 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 2.48 0.00 45 T 8.44 3.95 4.48 0.00 0.00 0.00 0.00 0.00 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 46 I 8.04 4.00 1.88 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 1.91 0.51 0.99 0.00 0.00 47 L 8.04 4.17 0.00 1.70 1.74 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.84 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