NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3507 8.1927 115.3962 58.0558 64.7179 173.7118 2 I 3.5773 7.9914 118.6441 63.6873 37.5739 176.2564 3 S 4.1737 8.1604 115.8835 61.6649 62.9943 176.0741 4 S 4.0612 7.5866 114.8657 61.5530 62.0688 176.4938 5 R 3.9625 7.6978 120.1358 58.7419 29.6998 179.1993 6 V 3.7014 7.8365 118.6199 65.6259 31.4838 177.6983 7 K 3.9963 7.9171 119.5862 59.5704 32.0659 178.5675 8 S 4.1338 8.0046 114.0317 61.5480 62.7701 176.1135 9 K 4.0349 7.8482 122.8301 57.5107 32.3454 177.2770 10 R 4.4568 7.4532 116.8362 58.3471 31.0522 177.7616 11 I 3.7926 8.1066 120.5363 64.0406 36.9390 177.4740 12 Q 4.4378 8.3788 115.6598 56.8924 28.9059 176.7317 13 L 4.6168 7.7064 120.2026 53.7718 42.2784 177.3647 14 G 4.0347 7.4569 105.3839 46.0214 0.0000 173.5923 15 L 4.6527 7.1935 119.3102 53.3932 42.9649 176.9334 16 N 4.7942 10.0191 121.1936 51.9018 40.0963 176.2325 17 Q 3.9447 8.6996 120.2453 59.4286 28.6027 179.6982 18 A 3.9447 7.8856 121.1192 55.0545 18.5207 179.0040 19 E 4.1174 10.7800 114.6517 57.9599 29.8961 178.6275 20 L 3.9731 8.2457 122.4176 57.9667 42.0926 178.3651 21 A 3.8163 8.2455 120.7674 54.7605 17.9429 179.7458 22 Q 4.0035 7.4329 116.3815 58.8982 28.8327 178.5370 23 K 4.0944 7.6975 119.4748 59.5334 32.0740 179.6376 24 V 3.6500 7.7553 116.9127 63.5961 32.2702 175.0885 25 G 3.5841 8.6426 104.8312 45.8924 0.0000 171.3972 26 T 4.2566 8.5100 112.2755 60.2548 70.5906 172.7369 27 T 4.3289 7.8856 113.0900 60.7204 71.5057 175.3184 28 Q 3.9116 8.3187 121.5149 59.2488 29.0031 177.6741 29 Q 4.0157 8.0807 118.6677 59.4519 28.5012 179.2994 30 S 4.2709 9.0256 116.9199 61.5324 62.9611 176.7402 31 I 3.7282 7.3722 121.7115 63.7052 36.7243 178.1496 32 E 3.9415 8.1297 120.6355 59.4332 29.3359 178.7767 33 Q 3.9997 7.9085 117.9683 59.0915 28.6853 178.0219 34 L 4.1457 7.6636 121.0428 58.3628 41.8994 178.6913 35 E 4.1836 8.1972 118.8136 58.9853 29.5257 178.3775 36 N 4.9305 8.0083 114.5807 52.4521 39.2608 175.6618 37 G 3.9452 7.9222 106.9880 46.2034 0.0000 175.6833 38 K 4.2022 9.6902 120.1973 58.0704 32.4068 177.5158 39 T 4.6326 7.4417 107.3777 59.6797 70.9707 173.3481 40 K 4.0408 8.1378 124.4513 57.1444 32.8342 177.6570 41 R 4.2777 7.2523 128.1642 53.5769 29.3709 174.3756 42 P 4.2222 0.0000 0.0000 62.0936 31.6861 177.4263 43 R 4.0563 8.0074 117.6623 58.1442 30.6552 177.8618 44 F 5.0715 6.9769 114.3550 56.2302 38.3213 176.9359 45 L 3.8226 7.1618 122.9951 58.6544 41.4837 177.3414 46 P 4.2988 0.0000 0.0000 65.6327 31.5273 178.1713 47 E 4.1968 8.2438 116.8609 58.7223 29.4319 178.7838 48 L 4.0823 8.3763 120.7713 58.3141 42.3204 178.7417 49 A 4.0857 8.1093 120.6361 55.3151 18.0005 179.1260 50 S 4.4644 7.7491 109.9379 60.1510 62.6284 175.1384 51 A 4.4859 8.5014 122.1650 52.8665 19.3248 177.4738 52 L 4.3894 7.9363 115.2796 53.6868 42.2130 176.5392 53 G 4.0384 7.9236 106.4516 46.8944 0.0000 172.4438 54 V 4.5043 8.2319 111.4026 58.9036 35.9351 175.7654 55 S 4.8793 8.3418 114.2913 57.0228 66.1271 174.8311 56 V 3.6245 8.5117 123.2252 66.4292 30.9719 178.0687 57 D 4.2593 8.0755 117.1478 56.9605 41.2141 177.4130 58 W 4.2783 7.9893 128.4783 60.7429 30.3907 177.4055 59 L 3.7175 7.9469 117.0480 58.8038 41.5353 179.1006 60 L 3.9264 8.3086 119.3372 56.3402 41.5458 177.9444 61 N 4.6206 8.9671 116.6460 52.1493 38.1044 176.7875 62 G 3.9395 7.0714 107.5421 46.1562 0.0000 174.0656 63 T 4.2206 7.7851 121.0006 63.6731 68.5514 174.5515 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 S 8.19 4.35 0.00 3.96 4.06 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 2 I 7.99 3.58 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.43 0.84 0.00 0.00 3 S 8.16 4.17 0.00 3.88 4.12 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 0.00 0.00 0.00 0.00 4 S 7.59 4.06 0.00 3.99 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 7.70 3.96 0.00 1.52 1.35 0.00 2.21 0.00 0.00 2.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.46 0.00 6 V 7.84 3.70 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 1.06 0.00 0.00 1.02 0.00 0.00 7 K 7.92 4.00 0.00 2.00 1.88 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.61 7.81 8 S 8.00 4.13 0.00 4.14 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 9 K 7.85 4.03 0.00 2.11 2.13 0.00 1.83 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.68 1.59 7.81 10 R 7.45 4.46 0.00 2.07 2.24 0.00 3.16 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 11 I 8.11 3.79 2.13 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 1.60 0.87 0.93 0.00 0.00 12 Q 8.38 4.44 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.73 0.00 0.00 0.00 0.00 0.00 2.56 2.42 0.00 13 L 7.71 4.62 0.00 1.71 1.71 1.01 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.46 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.19 4.65 0.00 1.65 1.60 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 16 N 10.02 4.79 0.00 2.99 2.93 0.00 0.00 6.89 7.32 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 17 Q 8.70 3.94 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 18 A 7.89 3.94 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 10.78 4.12 0.00 2.20 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 0.00 2.65 2.30 0.00 20 L 8.25 3.97 0.00 1.79 1.89 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.25 3.82 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.43 4.00 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 23 K 7.70 4.09 0.00 1.76 1.84 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.69 1.50 7.81 24 V 7.76 3.65 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 0.57 0.00 0.00 0.98 0.00 0.00 25 G 8.64 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.51 4.26 3.72 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 0.00 0.00 0.00 0.61 0.00 0.00 27 T 7.89 4.33 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 28 Q 8.32 3.91 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 29 Q 8.08 4.02 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 30 S 9.03 4.27 0.00 3.83 4.03 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 0.00 0.00 0.00 0.00 31 I 7.37 3.73 2.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.41 0.92 0.00 0.00 32 E 8.13 3.94 0.00 2.15 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 2.50 0.00 33 Q 7.91 4.00 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.56 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 34 L 7.66 4.15 0.00 1.93 1.90 0.92 1.07 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 35 E 8.20 4.18 0.00 2.28 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 0.00 2.38 2.53 0.00 36 N 8.01 4.93 0.00 2.98 2.82 0.00 0.00 7.00 7.53 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 37 G 7.92 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 38 K 9.69 4.20 0.00 1.80 1.89 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.38 7.81 39 T 7.44 4.63 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 1.29 0.00 0.00 40 K 8.14 4.04 0.00 1.73 1.76 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.75 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.39 7.81 41 R 7.25 4.28 0.00 1.67 1.77 0.00 3.24 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 42 P 0.00 4.22 0.00 0.70 1.23 0.00 3.62 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 43 R 8.01 4.06 0.00 1.91 2.00 0.00 3.10 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 44 F 6.98 5.07 0.00 3.32 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.16 3.82 0.00 1.81 1.65 0.85 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.30 0.00 2.09 2.12 0.00 3.81 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 2.04 2.18 0.00 47 E 8.24 4.20 0.00 2.16 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 0.00 2.44 2.47 0.00 48 L 8.38 4.08 0.00 2.21 1.98 1.04 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.11 4.09 1.48 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 0.00 0.00 0.00 50 S 7.75 4.46 0.00 3.97 4.08 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 0.00 0.00 0.00 51 A 8.50 4.49 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.94 4.39 0.00 1.76 1.83 1.05 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.92 4.04 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 0.00 0.00 0.00 54 V 8.23 4.50 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 0.73 0.00 0.00 1.28 0.00 0.00 55 S 8.34 4.88 0.00 4.07 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 56 V 8.51 3.62 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 1.10 0.00 0.00 0.96 0.00 0.00 57 D 8.08 4.26 0.00 2.88 2.72 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 0.00 0.00 0.00 0.00 58 W 7.99 4.28 0.00 3.42 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.95 3.72 0.00 1.87 1.71 1.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.31 3.93 0.00 1.97 1.55 0.89 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.97 4.62 0.00 2.93 3.00 0.00 0.00 7.05 7.02 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 62 G 7.07 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 63 T 7.79 4.22 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 1.26 0.00 0.00