NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 5.0372 8.3249 119.4095 57.6659 40.2745 174.4628 4 R 4.3850 8.7247 122.4130 56.1198 32.0954 174.9574 5 I 4.1536 8.6213 121.3392 61.2342 39.1431 175.1184 6 R 5.1997 9.2624 125.3681 54.2902 34.8559 174.4309 7 K 4.6744 9.1217 121.4019 54.5417 35.9920 174.4628 8 C 4.5482 9.0755 128.8099 56.2584 43.8300 172.7019 9 P 4.0455 0.0000 0.0000 65.5771 31.0234 177.5150 10 K 4.0495 7.6835 119.8133 58.9929 32.5121 176.5397 11 C 4.3137 7.9753 113.8911 55.9641 42.3744 174.8243 12 G 3.7067 7.9883 107.6596 45.3026 0.0000 173.5067 13 R 4.0775 7.5322 120.7333 56.4731 31.3040 174.6569 14 Y 4.9526 8.4705 123.3831 57.2852 39.5803 174.5827 15 T 4.6072 8.9620 116.9032 61.7976 71.2976 173.6829 16 L 4.4629 8.6072 122.8282 54.8066 42.6784 177.3809 17 K 4.3965 7.8429 118.2482 55.8627 33.1014 176.5804 18 E 4.8518 8.4566 118.3156 56.4790 30.7514 176.2138 19 V 4.8243 7.5402 112.9845 58.9579 34.7438 175.9652 20 C 4.0680 9.4574 125.8436 57.0613 43.7776 173.0396 21 P 4.1396 0.0000 0.0000 64.6496 31.5704 177.8586 22 V 3.8765 7.8438 117.6879 65.0149 31.8160 175.5131 23 C 4.5400 8.2127 111.6066 54.9159 42.7891 174.7072 24 G 3.7255 7.9469 108.3162 45.0026 0.0000 173.5477 25 E 4.2231 7.7634 118.7486 56.1209 30.8884 176.4569 26 K 4.7116 8.5366 121.5261 56.8776 33.0208 176.9284 27 T 4.5492 8.6739 114.7151 60.5846 71.4044 173.7209 28 K 4.9100 8.3056 121.2802 54.0373 36.0440 175.8273 29 V 3.9954 8.6198 121.9131 63.8233 31.1347 176.1414 30 A 4.1340 9.0468 131.3664 55.2954 18.6081 177.9323 31 H 4.3873 7.8107 111.4451 54.9003 29.5253 173.5298 32 P 4.6199 0.0000 0.0000 61.2507 32.1595 174.7524 33 P 4.5597 0.0000 0.0000 62.3623 31.9320 177.0136 34 R 4.2385 8.4447 119.7440 56.2516 30.7246 176.0046 35 F 4.9724 8.6341 122.2718 56.3849 42.3820 174.5471 36 S 4.6198 7.0821 121.5773 55.7375 65.2306 173.3858 37 P 4.3277 0.0000 0.0000 65.8372 31.2992 177.7284 38 E 3.8534 8.0368 116.3263 57.5268 30.4861 176.3382 39 D 4.0329 7.5551 116.7928 53.9749 39.8582 171.9920 40 P 3.9731 0.0000 0.0000 65.2891 31.9617 177.5189 41 Y 5.1391 7.4947 112.7886 57.6435 38.9164 177.2148 42 G 3.9519 8.1685 109.5907 48.3390 0.0000 175.4080 43 E 3.8365 8.3693 121.3610 59.3605 29.3806 178.3061 44 Y 4.2418 7.8578 115.4245 60.3413 38.3828 177.7062 45 R 4.2216 8.6038 120.1473 59.5511 30.2050 178.7955 46 R 3.9886 8.5979 118.3889 59.1236 29.5538 178.7725 47 R 3.8799 7.8553 118.3601 59.3654 30.0688 178.0229 48 W 4.4215 8.3456 127.9799 60.7859 30.6431 177.8270 49 K 3.2045 8.2256 119.2566 58.9581 31.6842 178.9815 50 R 3.8359 8.3266 118.9908 59.3332 29.8102 178.6741 51 E 3.9479 7.5813 116.8794 59.0897 29.6316 178.7054 52 V 3.6641 7.1046 117.4499 65.1248 31.5273 176.9779 53 L 4.5281 7.5996 116.4677 53.3883 41.7390 176.4941 54 G 4.0452 7.9694 105.1175 46.3577 0.0000 174.0726 55 I 3.8635 7.4699 124.8276 61.2692 36.9923 176.0647 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 F 8.32 5.04 0.00 3.12 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 4 R 8.72 4.38 0.00 1.94 2.02 0.00 3.23 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 5 I 8.62 4.15 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 1.40 0.81 1.07 0.00 0.00 6 R 9.26 5.20 0.00 1.83 1.89 0.00 3.11 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 7 K 9.12 4.67 0.00 0.82 1.31 0.00 1.35 0.00 0.00 1.39 0.00 0.00 2.31 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.14 1.08 7.81 8 C 9.08 4.55 0.00 2.96 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 9 P 0.00 4.05 0.00 2.20 2.14 0.00 3.84 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 1.96 1.94 0.00 10 K 7.68 4.05 0.00 1.70 1.80 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.47 7.81 11 C 7.98 4.31 0.00 3.10 3.18 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 0.00 0.00 0.00 12 G 7.99 3.71 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 0.00 0.00 0.00 13 R 7.53 4.08 0.00 1.94 1.77 0.00 3.25 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 14 Y 8.47 4.95 0.00 2.91 2.86 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 0.00 0.00 0.00 15 T 8.96 4.61 4.27 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 1.32 0.00 0.00 16 L 8.61 4.46 0.00 1.70 1.72 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.84 4.40 0.00 1.76 1.74 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.42 7.81 18 E 8.46 4.85 0.00 1.93 1.98 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 2.37 2.19 0.00 19 V 7.54 4.82 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 0.69 0.00 0.00 0.93 0.00 0.00 20 C 9.46 4.07 0.00 3.11 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 21 P 0.00 4.14 0.00 2.09 2.10 0.00 3.72 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 2.04 2.07 0.00 22 V 7.84 3.88 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 0.82 0.00 0.00 0.93 0.00 0.00 23 C 8.21 4.54 0.00 3.10 3.17 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 24 G 7.95 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.76 4.22 0.00 1.89 1.88 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 2.39 2.28 0.00 26 K 8.54 4.71 0.00 1.64 1.75 0.00 1.76 0.00 0.00 1.99 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.39 7.81 27 T 8.67 4.55 4.22 0.00 0.00 0.00 0.00 0.00 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 28 K 8.31 4.91 0.00 1.72 1.72 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.34 7.81 29 V 8.62 4.00 2.15 0.00 0.00 0.00 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 1.03 0.00 0.00 30 A 9.05 4.13 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 0.00 0.00 31 H 7.81 4.39 0.00 2.89 3.01 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.62 0.00 2.08 2.00 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 33 P 0.00 4.56 0.00 2.15 2.06 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 34 R 8.44 4.24 0.00 1.86 1.94 0.00 3.21 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 35 F 8.63 4.97 0.00 2.96 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 36 S 7.08 4.62 0.00 3.66 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 37 P 0.00 4.33 0.00 2.01 2.17 0.00 3.59 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.18 0.00 38 E 8.04 3.85 0.00 1.80 1.90 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 2.25 2.30 0.00 39 D 7.56 4.03 0.00 2.75 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.97 0.00 0.57 1.47 0.00 3.40 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 41 Y 7.49 5.14 0.00 3.12 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 42 G 8.17 3.95 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 0.00 0.00 0.00 43 E 8.37 3.84 0.00 1.92 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 1.47 2.11 0.00 44 Y 7.86 4.24 0.00 3.33 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 R 8.60 4.22 0.00 2.06 2.14 0.00 3.40 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.19 0.00 46 R 8.60 3.99 0.00 2.17 1.99 0.00 3.21 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 47 R 7.86 3.88 0.00 2.01 2.22 0.00 3.24 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 48 W 8.35 4.42 0.00 3.44 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.23 3.20 0.00 1.75 1.80 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.22 1.02 7.81 50 R 8.33 3.84 0.00 1.98 1.94 0.00 3.17 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 51 E 7.58 3.95 0.00 2.00 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 0.00 2.33 2.32 0.00 52 V 7.10 3.66 1.63 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 0.65 0.00 0.00 0.48 0.00 0.00 53 L 7.60 4.53 0.00 1.57 1.58 0.82 0.69 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 54 G 7.97 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 55 I 7.47 3.86 1.83 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 1.12 0.52 0.89 0.00 0.00