NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 R 4.2998 8.2544 119.7067 56.1297 30.8170 174.1381 -2 K 3.9785 8.1400 125.4517 56.2438 34.3046 177.0689 -1 L 4.1181 9.4698 120.8306 56.2031 40.5755 179.5528 -2 C 4.2085 8.1700 123.6517 58.2438 29.2046 175.0689 -1 S 4.2481 9.6198 114.7306 59.4031 61.9755 176.5528 3 L 4.4837 8.3681 122.9469 53.5964 41.9731 175.3365 4 D 4.3391 9.2669 129.3130 55.9278 39.8457 172.9551 5 N 4.7108 8.9241 109.6317 54.4248 37.7832 174.2031 6 G 3.7371 8.8823 100.9893 45.5994 0.0000 174.0047 7 D 4.4114 8.3482 116.0614 55.0246 40.0881 173.0424 8 C 4.7240 7.8902 113.6221 55.3294 41.0378 173.9805 9 D 4.4925 8.6403 122.7515 57.1642 41.7756 176.6501 10 Q 4.5704 7.0011 115.3003 54.7926 31.3851 178.9480 11 F 4.5139 7.5411 127.9141 59.6045 39.7290 172.1352 12 C 5.3830 8.8178 122.1552 55.1735 44.7790 172.5455 13 H 5.0767 8.5979 119.3881 54.4374 32.0855 172.2280 14 E 4.7796 8.8509 120.6494 55.5598 30.3221 175.9719 15 E 4.2882 8.9055 126.0988 55.1809 29.4885 173.2426 16 Q 3.1701 7.7647 126.9803 56.6321 25.5989 174.7953 17 N 3.8849 7.6790 122.4535 53.0572 36.8728 173.5864 18 S 4.5047 6.8660 113.9566 57.1254 65.7842 174.8900 19 V 4.0644 8.4304 127.5881 63.0209 32.1083 175.6363 20 V 4.2816 8.5554 126.5415 61.6231 34.0771 173.6525 21 C 4.9793 8.7719 125.5619 56.5096 40.0864 173.0668 22 S 4.8257 8.6769 114.5239 57.5800 66.5777 171.9974 23 C 5.0720 8.5739 116.4886 54.5568 38.3496 174.0020 24 A 4.5414 8.4496 124.3670 51.5803 18.7311 177.2925 25 R 4.2279 8.4986 120.2111 57.6641 30.5657 176.5014 26 G 4.0335 9.0919 112.1669 45.3443 0.0000 172.2199 27 Y 5.3662 7.8309 115.8583 56.2348 41.7609 175.0852 28 T 4.7507 8.7794 109.9689 59.5399 72.2338 173.2405 29 L 4.4391 8.6973 126.7419 55.2233 43.0166 176.4577 30 A 4.3404 8.7899 128.0723 51.5488 19.5198 178.1653 31 D 4.3529 8.6918 118.5233 57.3632 40.9173 177.7954 32 N 4.4438 8.1410 114.0756 52.9259 37.6061 176.0598 33 G 3.9580 8.0592 107.0476 46.0015 0.0000 173.9778 34 K 4.4664 8.7081 118.5878 57.7270 34.9333 176.8477 35 A 4.8739 8.0906 120.2755 51.4056 20.1385 176.9907 36 C 5.2598 8.7866 116.2559 55.3269 43.9718 173.8163 37 I 4.4447 8.6465 126.0775 59.3351 38.1774 174.2260 38 P 4.0604 0.0000 0.0000 63.1386 31.5266 176.1550 39 T 4.2907 8.3203 116.1498 62.5203 68.5573 173.8531 40 G 4.1123 7.3693 107.3329 44.1348 0.0000 170.3605 41 P 4.0988 0.0000 0.0000 64.8514 31.8030 176.7713 42 Y 4.7559 7.3016 114.4311 55.2850 38.6710 173.0499 43 P 4.2557 0.0000 0.0000 62.0673 32.6062 176.8186 44 C 4.2916 8.4671 115.3592 59.7975 29.9424 174.1269 45 G 3.9633 8.9322 109.1379 45.7692 0.0000 173.0680 46 K 4.6299 7.4230 117.7456 54.0696 34.0518 176.3832 47 Q 4.0723 8.6505 123.1851 56.0553 29.2559 176.1831 48 T 4.3294 8.4033 112.6324 60.4771 68.7184 174.3217 49 L 4.5027 8.2991 127.3055 53.2443 43.2010 176.7943 50 E 4.1517 8.9369 122.4258 56.8533 29.6750 175.1075 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 R 8.25 4.30 0.00 1.82 2.11 0.00 3.16 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 -2 K 8.14 3.98 0.00 1.86 1.54 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.53 7.81 -1 L 9.47 4.12 0.00 1.75 1.16 0.97 0.86 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 -2 C 8.17 4.21 0.00 2.95 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 -1 S 9.62 4.25 0.00 4.02 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 3 L 8.37 4.48 0.00 1.84 1.63 0.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 4 D 9.27 4.34 0.00 2.88 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 5 N 8.92 4.71 0.00 2.96 2.77 0.00 0.00 6.93 7.90 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 6 G 8.88 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.35 4.41 0.00 2.74 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 C 7.89 4.72 0.00 3.05 2.94 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 9 D 8.64 4.49 0.00 2.85 2.54 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 0.00 0.00 0.00 0.00 10 Q 7.00 4.57 0.00 1.45 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.84 0.00 0.00 0.00 0.00 0.00 1.86 1.98 0.00 11 F 7.54 4.51 0.00 3.18 2.88 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 0.00 0.00 0.00 12 C 8.82 5.38 0.00 2.94 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 13 H 8.60 5.08 0.00 3.19 3.35 0.00 5.32 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.85 4.78 0.00 1.89 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 15 E 8.91 4.29 0.00 1.98 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 0.00 2.25 2.35 0.00 16 Q 7.76 3.17 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.84 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 17 N 7.68 3.88 0.00 2.76 3.10 0.00 0.00 7.04 7.63 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 18 S 6.87 4.50 0.00 3.88 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.43 4.06 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 0.78 0.00 0.00 0.93 0.00 0.00 20 V 8.56 4.28 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 0.99 0.00 0.00 1.02 0.00 0.00 21 C 8.77 4.98 0.00 3.05 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 22 S 8.68 4.83 0.00 4.04 3.99 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.57 5.07 0.00 2.83 2.78 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 0.00 0.00 0.00 24 A 8.45 4.54 1.26 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 0.00 0.00 0.00 25 R 8.50 4.23 0.00 1.88 1.95 0.00 3.26 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 26 G 9.09 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 27 Y 7.83 5.37 0.00 2.84 2.82 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 28 T 8.78 4.75 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 1.23 0.00 0.00 29 L 8.70 4.44 0.00 1.67 1.63 1.01 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.79 4.34 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 31 D 8.69 4.35 0.00 2.68 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.14 4.44 0.00 2.80 2.93 0.00 0.00 6.04 7.00 0.00 0.00 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 G 8.06 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.71 4.47 0.00 1.64 1.95 0.00 1.65 0.00 0.00 1.90 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.53 7.81 35 A 8.09 4.87 1.23 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 0.00 0.00 0.00 36 C 8.79 5.26 0.00 2.60 2.82 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 37 I 8.65 4.44 1.90 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 1.25 0.91 0.91 0.00 0.00 38 P 0.00 4.06 0.00 1.79 1.66 0.00 3.65 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.16 0.00 39 T 8.32 4.29 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 40 G 7.37 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 41 P 0.00 4.10 0.00 1.83 1.80 0.00 3.61 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 42 Y 7.30 4.76 0.00 2.92 2.82 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 43 P 0.00 4.26 0.00 1.70 1.64 0.00 3.70 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.80 0.00 44 C 8.47 4.29 0.00 3.20 3.08 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 45 G 8.93 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.42 4.63 0.00 1.86 1.77 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.61 7.81 47 Q 8.65 4.07 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 48 T 8.40 4.33 4.49 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 1.39 0.00 0.00 49 L 8.30 4.50 0.00 1.61 1.64 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.94 4.15 0.00 2.04 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00