NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.2828 8.1127 119.7052 55.9822 31.5840 173.6808 5 E 4.7205 8.2677 120.4283 53.1100 32.3593 173.8100 6 C 4.2991 9.5363 127.8676 59.6479 32.6292 173.4689 7 D 4.4865 8.5931 126.8715 55.9890 39.7601 175.8869 8 Y 4.3866 7.0315 118.5698 58.7363 41.0271 176.1516 9 C 3.9640 8.0327 114.9009 59.1368 30.8532 175.4086 10 G 4.1997 8.3656 107.8956 45.2393 0.0000 173.5822 11 T 4.3137 7.6881 109.3871 61.4471 70.4095 173.3070 12 D 4.9992 8.4939 122.1962 54.3209 41.7331 176.3195 13 I 4.1285 8.4366 124.9387 60.0855 37.8059 175.6539 14 E 3.8912 9.0018 128.8621 55.5764 29.7608 174.7936 15 P 4.2752 0.0000 0.0000 64.3119 31.6120 175.5960 16 G 3.9089 9.1677 106.0994 46.5102 0.0000 173.4384 17 T 4.4487 7.9280 112.9089 62.9695 72.5041 174.4746 18 G 4.1280 9.1174 108.9285 45.6520 0.0000 172.5791 19 T 4.8111 8.4664 113.8804 61.7354 72.7339 173.1152 20 M 5.0093 8.7500 124.1754 53.8805 34.4083 174.3796 21 F 4.8248 9.4151 129.7760 56.9561 41.4235 174.3815 22 V 4.3760 7.5473 126.2799 61.4764 32.3583 175.4079 23 H 4.2069 8.8370 125.8131 54.9198 29.5452 176.5239 24 K 3.8420 8.7791 122.4324 59.8030 31.8750 177.7901 25 D 4.4274 7.9755 115.4368 54.1671 39.5849 176.6862 26 G 3.9602 7.9182 107.4798 45.1001 0.0000 174.0464 27 A 4.2724 9.3485 122.9426 52.5127 19.7008 176.5514 28 T 5.0643 8.3499 114.8883 62.1094 72.2943 174.1167 29 T 4.6338 8.7704 120.9747 62.2401 72.4779 172.6533 30 H 5.0231 9.6315 125.4425 54.9914 30.3946 174.6079 31 F 5.3465 9.5790 122.6920 55.9043 41.1964 176.5786 32 C 4.4045 9.1291 116.9633 60.0175 30.5547 173.4979 33 S 4.5990 7.5677 114.4568 56.4828 66.3457 175.5543 34 S 4.6488 8.3573 118.0115 60.7498 62.7892 175.9856 35 K 3.7549 8.0630 122.8139 59.6904 31.7748 178.3536 36 C 4.2543 7.7845 115.3982 62.7617 28.2674 175.6706 37 E 2.5874 7.5257 119.6185 59.2427 28.7476 179.2987 38 N 4.1790 8.2786 116.4801 56.4325 38.0802 177.3112 39 N 4.3832 8.1639 117.6015 56.0135 38.5127 177.4701 40 A 4.0316 7.6485 122.3890 55.2740 18.3304 179.4133 41 D 4.2037 7.9750 116.1028 56.8505 40.8926 178.1314 42 L 4.3292 7.3068 117.5553 54.6910 41.8887 177.6858 43 G 3.9680 8.5404 107.8771 45.5299 0.0000 174.1255 44 R 4.2832 7.4866 117.5396 55.5825 31.0162 175.6768 45 E 4.5924 8.5022 120.1087 54.3468 31.4261 176.8847 46 A 3.4048 8.2043 126.5744 55.2757 18.3552 179.7572 47 R 3.8054 7.7050 113.3323 59.0060 30.1719 177.1575 48 N 4.5259 8.1895 113.2078 53.0804 39.0528 174.7540 49 L 4.4540 7.3053 120.3536 52.6763 41.9808 177.0932 50 E 3.9432 8.7980 124.7916 58.5644 29.5407 178.5821 51 W 4.5141 7.6638 114.0038 57.8958 29.1204 176.7778 52 T 3.7952 7.1259 117.8972 63.0223 68.3698 175.1685 53 D 4.2774 8.7580 126.0582 57.8132 40.5949 177.6070 54 T 3.6446 7.6388 114.3463 66.7371 68.9272 174.7814 55 A 3.9810 7.7786 125.1632 55.5005 18.7364 177.6886 56 R 4.0918 7.9297 118.3453 56.5766 30.0763 176.3849 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 4.28 0.00 1.88 1.89 0.00 3.00 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 5 E 8.27 4.72 0.00 1.95 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 2.18 2.40 0.00 6 C 9.54 4.30 0.00 3.10 2.89 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 7 D 8.59 4.49 0.00 2.56 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 7.03 4.39 0.00 2.95 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 8.03 3.96 0.00 3.10 3.37 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 0.00 10 G 8.37 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 0.00 0.00 0.00 0.00 11 T 7.69 4.31 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 1.33 0.00 0.00 12 D 8.49 5.00 0.00 2.61 2.66 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 0.00 0.00 0.00 0.00 13 I 8.44 4.13 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 1.18 0.60 0.96 0.00 0.00 14 E 9.00 3.89 0.00 1.93 1.92 0.00 0.00 0.00 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 4.28 0.00 2.22 2.07 0.00 3.95 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 16 G 9.17 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 0.00 0.00 0.00 17 T 7.93 4.45 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 9.12 4.13 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 0.00 19 T 8.47 4.81 4.52 0.00 0.00 0.00 0.00 0.00 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 8.75 5.01 0.00 1.97 1.85 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.37 0.00 21 F 9.42 4.82 0.00 3.32 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 7.55 4.38 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.83 0.00 0.00 23 H 8.84 4.21 0.00 3.39 3.25 0.00 5.69 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.78 3.84 0.00 1.75 1.89 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.45 7.81 25 D 7.98 4.43 0.00 2.83 2.79 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 26 G 7.92 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 A 9.35 4.27 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 5.06 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 1.18 0.00 0.00 29 T 8.77 4.63 4.38 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 0.62 0.00 0.00 30 H 9.63 5.02 0.00 3.07 3.25 0.00 5.77 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 31 F 9.58 5.35 0.00 3.02 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 32 C 9.13 4.40 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 7.57 4.60 0.00 4.04 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 34 S 8.36 4.65 0.00 3.98 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 8.06 3.75 0.00 1.74 1.84 0.00 1.36 0.00 0.00 1.37 0.00 0.00 2.13 0.00 0.00 2.29 0.00 0.00 0.00 0.00 1.40 1.35 7.81 36 C 7.78 4.25 0.00 3.32 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 37 E 7.53 2.59 0.00 1.66 1.19 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 1.47 2.18 0.00 38 N 8.28 4.18 0.00 2.64 2.78 0.00 0.00 7.12 6.96 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 39 N 8.16 4.38 0.00 3.14 3.12 0.00 0.00 6.92 7.57 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 40 A 7.65 4.03 1.14 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 0.00 0.00 41 D 7.98 4.20 0.00 2.63 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 7.31 4.33 0.00 1.83 1.73 0.94 0.86 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 43 G 8.54 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 44 R 7.49 4.28 0.00 2.17 1.98 0.00 3.26 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 45 E 8.50 4.59 0.00 1.97 1.80 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 2.34 2.29 0.00 46 A 8.20 3.40 0.40 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 0.00 0.00 0.00 47 R 7.70 3.81 0.00 1.72 1.92 0.00 3.13 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 48 N 8.19 4.53 0.00 2.74 2.82 0.00 0.00 6.90 7.81 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 49 L 7.31 4.45 0.00 1.17 0.85 1.10 1.04 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 8.80 3.94 0.00 2.02 2.07 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 2.31 2.31 0.00 51 W 7.66 4.51 0.00 3.56 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 7.13 3.80 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 0.98 0.00 0.00 53 D 8.76 4.28 0.00 2.82 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 7.64 3.64 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 7.78 3.98 1.29 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 0.00 0.00 56 R 7.93 4.09 0.00 1.93 1.84 0.00 3.22 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 1.64 0.00