NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 R 4.3056 8.3545 119.0730 56.0152 31.3261 174.9971 -1 K 4.5048 8.0029 121.2749 53.7790 37.0339 175.6836 0 L 4.1792 8.4986 114.6706 56.2745 43.8592 179.9681 1 C 4.4471 8.6847 129.4160 60.7895 39.8297 174.7254 2 S 3.9590 8.3290 114.5824 59.3953 62.8982 173.8611 3 L 4.2198 8.2375 124.0416 53.7421 41.8480 175.7995 4 D 4.3173 9.4021 129.7279 55.9701 39.7303 173.2213 5 N 4.2365 8.8741 111.6629 54.1971 37.9589 174.0577 6 G 3.6249 9.1772 101.6431 46.0347 0.0000 174.8907 7 D 4.5754 8.5369 116.8258 54.0915 40.7221 173.6244 8 C 4.6879 7.8561 115.0322 57.3649 40.8481 173.7253 9 D 4.4561 8.6147 123.3444 56.9665 42.2322 177.2541 10 Q 4.4462 7.6652 111.8761 55.8338 30.6276 178.9262 11 F 4.5930 5.9250 127.4305 58.4785 40.3550 173.0575 12 C 5.3466 8.8501 123.2658 55.1442 41.4776 172.5272 13 H 5.1992 9.4114 123.0808 54.0243 32.5638 172.4644 14 E 4.9179 8.8094 120.4363 54.8259 31.3885 175.4283 15 E 4.5387 8.7292 124.3058 55.4922 32.3508 176.2240 16 Q 3.6639 9.3575 123.0726 57.1550 26.1545 172.7952 17 N 4.2722 8.5622 111.2861 54.0687 37.6798 173.4868 18 S 4.6231 7.7869 109.0761 55.7688 66.2472 173.2256 19 V 4.1499 8.4518 123.9229 63.4927 32.0975 175.0891 20 V 4.4799 9.2621 127.1562 61.4138 34.2798 173.5620 21 C 5.5944 8.9216 124.9363 55.7691 37.1368 172.6888 22 S 4.7722 8.9007 115.2560 57.6780 66.7814 171.7718 23 C 4.9176 8.5535 115.6500 54.4816 40.3807 174.1654 24 A 4.4944 8.7220 124.8454 52.0658 18.6893 177.2705 25 R 4.1187 8.3845 118.4619 57.8253 30.6389 177.7955 26 G 3.9564 9.3121 109.8845 45.0865 0.0000 172.0800 27 Y 5.1797 7.4624 116.2141 56.3339 41.3512 175.1375 28 T 4.7049 9.0603 118.7767 61.3092 71.6803 173.5919 29 L 4.4611 8.6225 128.0766 55.1178 42.8666 176.5644 30 A 4.2606 9.3397 128.4295 51.6069 19.4879 177.9406 31 D 4.3469 8.9620 119.2041 57.7939 40.7803 178.6142 32 N 4.3600 8.1496 113.1698 53.4731 37.3052 175.4561 33 G 3.9811 8.4894 107.3286 46.2752 0.0000 173.9900 34 K 4.4808 8.6120 118.6328 57.5261 35.3503 176.8010 35 A 4.6871 8.2225 120.6115 51.8666 20.0574 176.7695 36 C 5.3499 8.9899 117.4030 55.1854 41.0840 173.6566 37 I 4.7296 8.6987 124.4989 58.6739 39.6380 173.4366 38 P 4.1955 0.0000 0.0000 62.8293 31.2039 176.7131 39 T 4.0252 8.6750 115.6091 63.8232 69.7071 174.3005 40 G 4.1909 7.4891 108.6156 42.4358 0.0000 169.7934 41 P 4.0706 0.0000 0.0000 63.4673 32.4833 175.3786 42 Y 3.5165 7.8013 115.6698 58.5850 34.7173 168.4285 43 P 4.3470 0.0000 0.0000 62.1228 32.7598 176.5791 44 C 4.3933 8.4209 114.7056 59.5810 30.0666 174.1415 45 G 3.9364 8.8185 108.7378 45.8704 0.0000 173.1827 46 K 4.5523 7.3991 119.0407 54.2189 33.4638 176.6846 47 Q 4.1916 8.6704 123.2717 56.5005 29.5066 177.1878 48 T 4.4590 8.1723 112.5823 60.2388 67.7094 174.7023 49 L 4.2742 7.7678 127.6622 55.6522 41.8657 176.8095 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 -2 R 8.35 4.31 0.00 1.85 1.79 0.00 3.17 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 -1 K 8.00 4.50 0.00 1.69 1.68 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.09 7.81 0 L 8.50 4.18 0.00 1.95 1.27 1.04 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 1 C 8.68 4.45 0.00 3.17 3.16 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 2 S 8.33 3.96 0.00 3.92 3.91 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 0.00 0.00 0.00 3 L 8.24 4.22 0.00 1.67 1.75 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 4 D 9.40 4.32 0.00 2.85 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 8.87 4.24 0.00 2.96 2.77 0.00 0.00 6.95 7.91 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 6 G 9.18 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.54 4.58 0.00 2.76 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 8 C 7.86 4.69 0.00 3.04 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 D 8.61 4.46 0.00 2.65 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 7.67 4.45 0.00 1.40 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.92 0.00 0.00 0.00 0.00 0.00 1.85 1.96 0.00 11 F 5.92 4.59 0.00 3.02 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 12 C 8.85 5.35 0.00 3.14 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 13 H 9.41 5.20 0.00 3.08 3.13 0.00 5.64 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 8.81 4.92 0.00 1.85 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 2.23 2.33 0.00 15 E 8.73 4.54 0.00 1.99 1.81 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 2.21 2.25 0.00 16 Q 9.36 3.66 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.91 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 17 N 8.56 4.27 0.00 2.82 2.87 0.00 0.00 6.99 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 7.79 4.62 0.00 4.03 3.89 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 0.00 0.00 0.00 19 V 8.45 4.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.94 0.00 0.00 20 V 9.26 4.48 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 1.03 0.00 0.00 1.08 0.00 0.00 21 C 8.92 5.59 0.00 3.02 2.96 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 22 S 8.90 4.77 0.00 4.02 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 23 C 8.55 4.92 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 8.72 4.49 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.38 4.12 0.00 1.90 1.94 0.00 3.25 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 26 G 9.31 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 27 Y 7.46 5.18 0.00 2.83 2.80 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 0.00 0.00 0.00 28 T 9.06 4.70 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 8.62 4.46 0.00 1.65 1.60 1.04 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 30 A 9.34 4.26 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 31 D 8.96 4.35 0.00 2.68 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 4.36 0.00 2.80 2.94 0.00 0.00 6.00 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 8.49 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 0.00 0.00 0.00 34 K 8.61 4.48 0.00 1.66 1.94 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.56 7.81 35 A 8.22 4.69 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 36 C 8.99 5.35 0.00 2.60 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 37 I 8.70 4.73 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 1.25 1.05 0.91 0.00 0.00 38 P 0.00 4.20 0.00 1.76 1.62 0.00 3.66 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 39 T 8.67 4.03 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 1.20 0.00 0.00 40 G 7.49 4.19 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 0.00 0.00 0.00 41 P 0.00 4.07 0.00 1.84 1.82 0.00 3.89 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 2.03 1.96 0.00 42 Y 7.80 3.52 0.00 3.18 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 43 P 0.00 4.35 0.00 1.77 1.66 0.00 3.62 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.78 0.00 44 C 8.42 4.39 0.00 3.20 3.07 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 45 G 8.82 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 46 K 7.40 4.55 0.00 1.93 1.80 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.60 7.81 47 Q 8.67 4.19 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.32 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 48 T 8.17 4.46 4.42 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 1.44 0.00 0.00 49 L 7.77 4.27 0.00 1.66 1.62 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00