NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 C 4.5229 8.4445 118.3639 59.2597 30.3567 173.9422 7 T 4.4331 7.8225 111.5501 58.5885 71.6475 175.0554 8 V 4.4358 8.3518 124.5260 58.4615 34.0399 176.5284 9 N 4.8676 8.0594 124.6884 52.1757 37.1407 177.4499 10 D 4.7538 8.8719 119.6481 56.5129 41.1460 177.2445 11 A 4.1181 8.0391 121.5740 55.3544 18.2782 179.0128 12 E 3.9473 8.1561 117.0325 59.0102 29.6946 179.0379 13 I 3.7252 7.5753 119.7709 64.1591 37.2963 177.5434 14 F 4.0238 8.6359 121.9457 61.7013 39.1759 177.3925 15 S 4.0943 8.5105 114.6430 61.5724 62.6952 176.7452 16 L 3.9551 7.9058 121.6889 57.7144 41.3110 179.7977 17 V 3.4365 7.9973 118.6083 65.6682 31.4343 177.9497 18 K 3.6416 7.8328 119.6196 59.2984 31.7550 178.5649 19 K 3.8579 7.6959 118.6247 59.4919 32.3954 178.3175 20 E 4.0626 7.9797 118.5314 59.6118 29.4491 179.8208 21 V 3.6498 7.8426 112.4603 64.3378 31.3698 178.6171 22 L 4.1398 7.9186 117.8610 57.0108 41.5138 178.2453 23 S 4.3706 7.5313 111.5214 59.1512 63.6258 174.7024 24 L 4.2246 7.4456 121.5455 54.5402 42.2138 176.3740 25 N 4.7091 8.4286 118.4323 52.8213 39.5698 176.4213 26 T 3.9464 8.7659 118.6806 67.1398 68.5968 174.8220 27 N 4.5963 8.1712 116.8430 54.8165 39.3731 173.9006 28 D 4.7625 8.3402 117.5747 53.5235 42.8846 173.9916 29 Y 4.7336 7.1381 118.7680 55.9091 41.4530 173.2545 30 T 4.8675 8.8570 114.0659 60.9489 71.9370 171.7513 31 T 5.2623 8.2669 110.6654 59.1389 72.5163 175.0941 32 A 3.8640 8.8506 123.1932 55.2173 18.3873 179.6126 33 I 3.5770 7.7925 116.7158 64.2488 38.0614 177.8933 34 S 4.0500 8.0291 113.7224 61.3911 62.2417 176.0576 35 L 3.9121 7.9191 121.6415 57.9308 41.4079 179.4082 36 S 4.0979 8.7040 113.3817 61.4552 62.0056 175.8058 37 N 4.3163 7.8813 118.9553 56.5206 38.4957 177.0007 38 R 4.0798 7.9678 119.4663 59.2284 30.2175 178.4250 39 L 4.2023 7.8611 114.9664 54.2254 42.2797 176.9654 40 K 3.8882 7.5235 117.2934 57.8249 30.2471 174.6567 41 I 4.6743 7.3937 116.3265 58.5576 41.2112 176.5875 42 N 4.4069 8.5295 120.1912 53.3488 40.0021 176.2965 43 K 3.8683 8.7604 125.0768 59.5806 32.2647 178.9106 44 K 3.9362 8.0163 119.3676 59.4187 32.0397 178.7853 45 K 4.2714 7.8727 119.5353 59.0311 32.0460 179.1059 46 I 3.6229 7.8069 120.0315 64.5619 37.0290 178.2917 47 N 4.2513 8.4410 117.4063 56.3732 38.5613 177.3550 48 Q 4.1296 8.2390 119.4621 59.2370 28.7980 179.1714 49 Q 4.2924 7.9317 118.8312 58.5814 28.9239 178.2818 50 L 3.4742 7.7078 120.0516 57.9854 41.3157 179.3223 51 Y 4.3102 7.9926 116.3950 60.8155 37.5551 178.5178 52 K 4.1459 7.6237 117.9932 59.3641 32.6223 178.8602 53 L 4.2702 8.6810 121.1031 58.1243 41.8759 178.8206 54 Q 4.4727 8.1749 121.1163 58.5400 28.7850 178.2469 55 K 4.0840 7.8278 118.9556 58.7423 31.9574 178.0331 56 E 4.4461 8.0406 116.9429 55.5037 29.3500 176.6989 57 D 4.8085 7.9821 117.5160 55.4448 39.2764 174.9138 58 T 4.3342 7.5117 118.9184 65.5660 69.5697 174.9739 59 V 5.0813 7.7981 119.0869 59.6359 35.7304 174.5310 60 K 4.5934 9.5400 122.6704 54.9333 35.0912 174.4227 61 M 4.0976 8.4191 126.8700 53.8144 34.0160 175.1240 62 V 4.1450 8.0404 125.5861 59.5361 33.8838 173.5426 63 P 4.7341 0.0000 0.0000 63.1057 29.3205 174.5116 64 S 4.5409 7.3041 115.0535 57.4996 64.9644 172.6481 65 N 4.8076 8.3154 118.1263 50.8026 38.8085 172.6613 66 P 4.6900 0.0000 0.0000 60.6162 33.1952 174.2848 67 P 4.5822 0.0000 0.0000 62.9425 31.8204 176.3415 68 K 4.7321 8.4402 122.5236 54.5878 34.8301 175.3062 69 W 5.0847 9.3464 124.0269 55.0474 31.8067 174.7323 70 F 5.2143 9.5538 123.9402 55.3248 41.5582 175.1495 71 K 4.4577 8.7522 123.2296 55.9486 33.1968 176.0410 72 N 4.3125 9.1693 126.4748 54.0271 39.2223 175.3531 73 Y 4.3017 8.2303 124.3891 59.4402 38.2635 176.9268 74 N 4.6575 7.9211 117.0293 55.4115 39.0463 174.6414 75 C 4.3288 8.0697 121.0770 59.9276 28.2399 173.2878 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 C 8.44 4.52 0.00 2.98 3.05 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 7 T 7.82 4.43 4.24 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 1.21 0.00 0.00 8 V 8.35 4.44 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 0.90 0.00 0.00 0.93 0.00 0.00 9 N 8.06 4.87 0.00 2.73 1.86 0.00 0.00 6.90 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 10 D 8.87 4.75 0.00 2.68 2.76 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 0.00 0.00 0.00 0.00 11 A 8.04 4.12 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 12 E 8.16 3.95 0.00 2.03 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 2.39 2.35 0.00 13 I 7.58 3.73 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.63 0.90 0.00 0.00 14 F 8.64 4.02 0.00 3.29 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 15 S 8.51 4.09 0.00 4.08 3.93 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 16 L 7.91 3.96 0.00 1.82 1.67 1.03 0.57 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 17 V 8.00 3.44 1.93 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 0.74 0.00 0.00 0.85 0.00 0.00 18 K 7.83 3.64 0.00 1.30 1.51 0.00 1.53 0.00 0.00 1.51 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.28 7.81 19 K 7.70 3.86 0.00 1.92 1.90 0.00 1.84 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.46 7.81 20 E 7.98 4.06 0.00 2.14 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 2.50 2.43 0.00 21 V 7.84 3.65 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 0.77 0.00 0.00 0.93 0.00 0.00 22 L 7.92 4.14 0.00 1.78 1.72 0.90 0.78 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 23 S 7.53 4.37 0.00 3.97 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 24 L 7.45 4.22 0.00 1.77 1.64 0.96 0.90 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 25 N 8.43 4.71 0.00 2.76 2.75 0.00 0.00 6.89 7.05 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 26 T 8.77 3.95 4.32 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 1.35 0.00 0.00 27 N 8.17 4.60 0.00 2.73 2.89 0.00 0.00 6.82 8.47 0.00 0.00 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 D 8.34 4.76 0.00 2.56 2.58 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 29 Y 7.14 4.73 0.00 2.08 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 30 T 8.86 4.87 4.20 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 0.00 0.00 1.28 0.00 0.00 31 T 8.27 5.26 4.37 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 1.36 0.00 0.00 32 A 8.85 3.86 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.79 3.58 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.21 0.95 0.00 0.00 34 S 8.03 4.05 0.00 3.97 3.98 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 35 L 7.92 3.91 0.00 1.80 1.61 0.72 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.70 4.10 0.00 3.82 4.07 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.88 4.32 0.00 2.87 3.03 0.00 0.00 7.29 7.66 0.00 0.00 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 R 7.97 4.08 0.00 1.88 1.92 0.00 3.14 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 39 L 7.86 4.20 0.00 1.56 1.68 0.95 0.81 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 40 K 7.52 3.89 0.00 1.85 1.82 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.52 7.81 41 I 7.39 4.67 1.84 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 0.79 0.90 0.00 0.00 42 N 8.53 4.41 0.00 2.76 2.75 0.00 0.00 6.55 7.49 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 43 K 8.76 3.87 0.00 1.82 1.83 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.52 7.81 44 K 8.02 3.94 0.00 1.88 1.80 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.55 7.81 45 K 7.87 4.27 0.00 2.01 1.84 0.00 2.01 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.39 7.81 46 I 7.81 3.62 1.97 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 1.67 0.89 0.73 0.00 0.00 47 N 8.44 4.25 0.00 3.02 3.09 0.00 0.00 7.04 8.49 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 48 Q 8.24 4.13 0.00 2.32 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.67 0.00 49 Q 7.93 4.29 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.60 2.69 0.00 50 L 7.71 3.47 0.00 0.84 0.13 -0.32 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.99 4.31 0.00 3.21 3.15 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 0.00 0.00 0.00 0.00 52 K 7.62 4.15 0.00 2.22 2.01 0.00 2.02 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.72 7.81 53 L 8.68 4.27 0.00 1.75 1.78 0.68 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.17 4.47 0.00 2.51 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.57 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 55 K 7.83 4.08 0.00 2.02 1.93 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.84 7.81 56 E 8.04 4.45 0.00 2.29 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 2.34 2.64 0.00 57 D 7.98 4.81 0.00 2.83 2.76 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 0.00 0.00 0.00 0.00 58 T 7.51 4.33 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 1.18 0.00 0.00 59 V 7.80 5.08 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 1.07 0.00 0.00 1.30 0.00 0.00 60 K 9.54 4.59 0.00 1.74 1.66 0.00 1.41 0.00 0.00 1.49 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.18 1.27 7.81 61 M 8.42 4.10 0.00 1.42 0.57 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.07 0.00 62 V 8.04 4.14 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 0.86 0.00 0.00 0.75 0.00 0.00 63 P 0.00 4.73 0.00 2.18 2.06 0.00 3.69 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 64 S 7.30 4.54 0.00 3.75 3.98 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 65 N 8.32 4.81 0.00 2.71 2.74 0.00 0.00 6.82 8.02 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 66 P 0.00 4.69 0.00 2.27 2.14 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 67 P 0.00 4.58 0.00 2.02 1.79 0.00 3.80 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 2.21 2.16 0.00 68 K 8.44 4.73 0.00 1.51 1.09 0.00 1.25 0.00 0.00 0.61 0.00 0.00 2.67 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.09 1.21 7.81 69 W 9.35 5.08 0.00 3.16 3.11 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 70 F 9.55 5.21 0.00 2.94 3.03 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 71 K 8.75 4.46 0.00 1.99 1.79 0.00 1.82 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.46 7.81 72 N 9.17 4.31 0.00 2.96 2.65 0.00 0.00 6.84 7.10 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 73 Y 8.23 4.30 0.00 3.04 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 74 N 7.92 4.66 0.00 2.73 2.96 0.00 0.00 6.97 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 C 8.07 4.33 0.00 3.08 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