NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3555 8.1127 119.6563 56.0841 32.4795 173.6549 5 E 4.7320 8.4142 121.0572 53.1252 31.9320 173.5381 6 C 3.9198 9.6478 128.0484 60.1817 32.6422 173.5343 7 D 4.4133 8.4710 124.2187 55.6473 39.6016 175.5383 8 Y 4.4681 7.4208 117.9997 58.7358 41.5112 176.3984 9 C 3.9869 8.0194 113.9852 59.3224 30.7388 175.4093 10 G 3.9693 8.3626 107.0675 45.0313 0.0000 173.7199 11 T 4.1981 7.7380 109.7967 61.4844 70.3844 173.3632 12 D 4.9086 8.5127 122.9204 54.3836 41.6524 176.1380 13 I 4.0674 8.3599 125.3082 60.3568 37.6470 175.8508 14 E 3.9362 8.9968 128.7712 55.5983 29.9231 174.9182 15 P 4.3690 0.0000 0.0000 63.9017 31.9255 175.4306 16 G 3.8849 9.1927 105.2689 46.5369 0.0000 173.4001 17 T 4.4233 7.9110 113.2491 63.0218 72.5607 174.2590 18 G 4.1018 9.0968 109.4231 45.5848 0.0000 172.6116 19 T 4.7969 8.5409 113.6577 61.8284 72.9227 173.1460 20 M 5.0178 8.7890 124.6002 53.8782 34.3322 174.5873 21 F 4.8641 9.5778 130.0885 56.7275 40.9219 174.7993 22 V 3.9747 7.9689 127.4413 62.6125 31.8882 175.7667 23 H 4.0224 9.1199 125.9392 54.6851 29.7205 176.6621 24 K 3.9352 8.5981 121.5269 59.7971 31.9542 177.8105 25 D 4.4175 7.9402 115.8538 54.0556 39.5330 176.3177 26 G 3.8956 7.6829 107.2623 45.3972 0.0000 174.2446 27 A 4.2097 9.6216 123.0417 52.9002 19.5770 176.6471 28 T 5.0499 8.3230 114.5974 62.1407 72.5952 174.0223 29 T 4.6773 8.4787 120.3356 62.4198 72.7950 172.6500 30 H 5.1273 9.6967 124.7882 54.7872 30.8144 174.5040 31 F 5.2533 9.4407 121.3418 55.9558 41.9587 176.0910 32 C 4.3813 9.1942 117.0665 60.1476 30.4496 173.7954 33 S 4.7143 7.7216 114.0590 55.8032 66.9220 174.9063 34 S 4.4558 8.4540 118.2211 60.7524 62.7146 175.9697 35 K 3.7048 8.0982 122.8732 59.7278 31.7377 178.2642 36 C 4.1185 7.8010 115.1754 62.8020 28.1843 175.5652 37 E 2.5400 7.3093 120.2411 59.2372 29.0578 179.3441 38 N 4.1573 8.4341 116.3347 56.5087 38.6135 177.3153 39 N 4.4192 8.3109 117.6232 55.9637 38.4696 177.4328 40 A 4.0047 7.9463 122.6759 55.4584 18.3602 179.2953 41 D 3.8289 8.0798 116.2013 57.5062 40.9470 178.6411 42 L 4.2809 7.4783 116.6185 55.1665 41.6967 177.8508 43 G 3.9528 8.7390 108.4128 45.6258 0.0000 173.6482 44 R 4.2920 7.6602 118.1206 55.2814 31.0376 175.8750 45 E 4.4220 8.6594 121.6839 54.7353 30.8380 176.8116 46 A 3.3834 8.2556 127.2099 55.3346 18.3159 179.5426 47 R 3.8683 7.6988 112.9425 58.6256 30.2021 177.0222 48 N 4.6008 8.3971 114.0003 52.7533 38.9847 174.6929 49 L 4.5193 7.4156 120.2498 52.6526 42.2491 176.8870 50 E 4.0242 8.9187 124.9177 58.8369 29.5103 178.7702 51 W 4.5032 7.7337 113.5932 57.8017 29.1332 176.6934 52 T 3.6980 7.2642 118.5441 63.0625 68.1946 175.2081 53 D 4.3287 8.7268 126.2758 57.7772 41.1796 178.2284 54 T 3.8376 7.8648 115.2090 66.5959 68.5606 175.4808 55 A 4.0032 7.7215 122.5034 55.1001 18.6883 177.5296 56 R 4.0892 7.9522 118.6727 56.5867 30.0632 176.3869 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 4 R 8.11 4.36 0.00 1.78 1.88 0.00 3.01 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 5 E 8.41 4.73 0.00 1.94 1.77 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 2.15 2.49 0.00 6 C 9.65 3.92 0.00 3.08 2.91 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 7 D 8.47 4.41 0.00 2.67 2.63 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 0.00 0.00 0.00 0.00 8 Y 7.42 4.47 0.00 2.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.02 3.99 0.00 3.10 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 10 G 8.36 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.74 4.20 4.30 0.00 0.00 0.00 0.00 0.00 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 12 D 8.51 4.91 0.00 2.61 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.36 4.07 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.58 0.97 0.00 0.00 14 E 9.00 3.94 0.00 1.93 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 2.32 2.40 0.00 15 P 0.00 4.37 0.00 2.23 2.06 0.00 3.94 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 2.00 1.98 0.00 16 G 9.19 3.88 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 0.00 0.00 0.00 17 T 7.91 4.42 4.53 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 1.25 0.00 0.00 18 G 9.10 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.54 4.80 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 20 M 8.79 5.02 0.00 1.97 1.82 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.40 0.00 21 F 9.58 4.86 0.00 3.24 3.23 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 22 V 7.97 3.97 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 0.71 0.00 0.00 0.86 0.00 0.00 23 H 9.12 4.02 0.00 3.37 3.18 0.00 5.67 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.60 3.94 0.00 1.73 1.85 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.43 7.81 25 D 7.94 4.42 0.00 2.82 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 26 G 7.68 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 27 A 9.62 4.21 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.32 5.05 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 29 T 8.48 4.68 4.40 0.00 0.00 0.00 0.00 0.00 0.00 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 30 H 9.70 5.13 0.00 3.05 3.24 0.00 5.75 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.44 5.25 0.00 2.98 3.02 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 0.00 0.00 0.00 0.00 32 C 9.19 4.38 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 33 S 7.72 4.71 0.00 4.03 4.02 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 0.00 0.00 0.00 0.00 34 S 8.45 4.46 0.00 3.97 4.10 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 0.00 0.00 0.00 0.00 35 K 8.10 3.70 0.00 1.76 1.87 0.00 1.43 0.00 0.00 1.54 0.00 0.00 2.13 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.49 1.40 7.81 36 C 7.80 4.12 0.00 3.27 3.06 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 37 E 7.31 2.54 0.00 1.55 1.15 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 1.47 2.23 0.00 38 N 8.43 4.16 0.00 2.79 2.78 0.00 0.00 7.11 7.58 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 39 N 8.31 4.42 0.00 2.99 3.11 0.00 0.00 6.96 7.84 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 40 A 7.95 4.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.08 3.83 0.00 2.63 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.48 4.28 0.00 1.86 1.74 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.74 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 44 R 7.66 4.29 0.00 2.21 2.01 0.00 3.26 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 45 E 8.66 4.42 0.00 1.98 1.82 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 2.37 2.31 0.00 46 A 8.26 3.38 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.70 3.87 0.00 1.73 1.92 0.00 3.13 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 48 N 8.40 4.60 0.00 2.72 2.82 0.00 0.00 6.83 8.48 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 49 L 7.42 4.52 0.00 1.02 0.91 1.13 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.92 4.02 0.00 2.03 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 2.33 2.34 0.00 51 W 7.73 4.50 0.00 3.59 3.23 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 52 T 7.26 3.70 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 0.94 0.00 0.00 53 D 8.73 4.33 0.00 2.81 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 54 T 7.86 3.84 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 1.06 0.00 0.00 55 A 7.72 4.00 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 56 R 7.95 4.09 0.00 1.92 1.84 0.00 3.21 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00