NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8834 8.3544 109.7366 44.9510 0.0000 173.7358 2 S 3.7086 8.2435 112.8023 56.1104 62.7244 172.3124 3 S 4.1916 8.8281 122.3660 57.9480 63.7646 172.9895 4 G 3.7773 8.2962 109.5945 45.0673 0.0000 172.9825 5 S 4.1131 8.4115 115.2650 59.0271 62.7218 174.9050 6 S 4.4174 8.2208 119.6834 56.6727 65.7465 173.0739 7 G 3.0457 7.7943 116.8377 44.8370 0.0000 171.9830 8 A 4.6534 7.0632 121.8941 50.5487 22.8204 175.9386 9 E 4.4608 8.4473 119.8578 55.3431 31.4004 175.5807 10 D 4.6493 8.3911 117.3240 54.8501 41.8927 175.9646 11 N 4.8905 7.6740 114.5982 51.7100 39.6412 173.5591 12 L 4.0035 8.2690 122.6820 56.5387 42.4100 177.7452 13 G 3.9408 8.0453 102.6283 43.4912 0.0000 171.1304 14 P 4.3709 0.0000 0.0000 61.9936 31.9372 176.1333 15 L 3.8373 8.3928 121.4897 53.6560 42.6829 176.6476 16 P 4.5865 0.0000 0.0000 62.7006 32.4832 175.1754 17 E 4.4658 8.7747 114.2729 57.3274 30.7244 175.7225 18 N 5.0057 8.2734 117.1229 52.5687 38.6387 174.2716 19 W 5.6490 8.1847 117.1801 55.9035 33.8811 174.7261 20 E 4.5096 9.2461 122.9608 55.5465 32.2952 173.5910 21 M 4.4009 8.7071 128.0445 54.5856 33.0096 174.8923 22 A 4.6498 7.5489 126.7766 50.5260 23.5117 173.7340 23 Y 5.2484 8.5545 116.3904 56.3157 40.1955 176.4983 24 T 4.4374 9.2665 114.1838 61.1028 70.1710 175.1553 25 E 4.0657 8.9733 120.3886 59.8909 29.4868 178.7324 26 N 4.4099 8.3235 114.2655 56.9892 38.6760 174.9199 27 G 3.7039 7.2569 105.5654 45.1952 0.0000 172.9350 28 E 4.6177 8.5899 121.7464 55.1300 30.6540 176.3604 29 V 3.6157 8.6134 125.7880 61.4942 32.3507 174.9855 30 Y 5.0377 8.3931 122.6486 55.1944 42.4801 173.7880 31 F 4.9862 9.2401 118.1360 55.7705 42.1590 174.7353 32 I 4.2562 8.8603 125.8711 60.3334 38.7695 174.4817 33 D 3.4614 8.6309 128.4768 52.5092 41.4379 176.7844 34 H 3.9836 8.7731 124.7016 58.8809 29.0376 178.2103 35 N 4.1258 7.8325 115.3255 55.5587 36.9360 175.0942 36 T 4.4093 8.2112 105.1206 59.6631 70.2410 173.4028 37 K 3.6907 7.9232 120.8420 58.3685 30.1007 174.9124 38 T 4.7866 8.0759 114.0847 61.7813 72.9588 174.1684 39 T 4.9418 8.2462 113.0860 60.0481 71.0648 173.1663 40 S 4.6407 8.7037 118.4552 56.4814 65.9836 174.5136 41 W 4.6200 8.9654 122.8672 58.3593 29.5064 176.9160 42 L 4.6712 7.8889 117.1445 53.2831 43.0493 174.7269 43 D 3.3700 7.9011 118.9238 51.8679 42.4989 174.4470 44 P 4.1141 0.0000 0.0000 65.8673 31.5594 178.5952 45 R 3.6619 7.6358 116.9118 59.0029 30.0958 177.3441 46 C 4.1572 8.6116 117.3201 61.8738 31.7474 174.0372 47 L 4.2961 8.0040 118.5354 54.5954 42.0697 176.2221 48 N 4.4898 8.6790 117.6229 54.3560 39.6942 175.3902 49 K 4.2918 7.6798 120.5398 54.2669 32.1624 175.3842 50 Q 4.1801 8.5647 125.4366 55.8791 29.1013 178.5217 51 Q 4.2475 8.4617 118.1608 56.5954 26.3287 174.5013 52 S 4.5122 8.2589 115.6532 57.2544 64.1227 175.6101 53 G 3.8975 8.5909 117.2519 44.5767 0.0000 170.2274 54 P 4.3480 0.0000 0.0000 62.7338 31.8018 175.7811 55 S 4.5973 8.3818 118.4569 56.4203 65.6411 173.5490 56 S 4.1687 9.0132 120.8741 61.2745 62.4924 174.0795 57 G 3.8068 7.9332 111.9972 45.7342 0.0000 173.1909 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 1 G 8.35 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 2 S 8.24 3.71 0.00 3.92 3.83 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 0.00 0.00 0.00 0.00 3 S 8.83 4.19 0.00 4.01 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 4 G 8.30 3.78 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 0.00 0.00 0.00 5 S 8.41 4.11 0.00 3.87 3.86 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 6 S 8.22 4.42 0.00 3.92 3.79 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 7 G 7.79 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 0.00 0.00 0.00 8 A 7.06 4.65 1.17 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 0.00 0.00 9 E 8.45 4.46 0.00 1.94 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 2.26 0.00 10 D 8.39 4.65 0.00 2.60 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 11 N 7.67 4.89 0.00 2.67 2.68 0.00 0.00 6.96 7.85 0.00 0.00 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 L 8.27 4.00 0.00 1.58 1.64 0.86 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.05 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 14 P 0.00 4.37 0.00 2.19 2.07 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 15 L 8.39 3.84 0.00 1.71 1.75 1.15 1.06 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 16 P 0.00 4.59 0.00 2.55 2.08 0.00 3.57 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.53 0.00 17 E 8.77 4.47 0.00 2.12 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 0.00 2.25 2.25 0.00 18 N 8.27 5.01 0.00 2.85 3.13 0.00 0.00 6.28 9.20 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 19 W 8.18 5.65 0.00 3.14 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 9.25 4.51 0.00 2.12 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 2.21 2.29 0.00 21 M 8.71 4.40 0.00 1.86 1.68 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.88 0.00 22 A 7.55 4.65 0.95 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 23 Y 8.55 5.25 0.00 2.79 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 24 T 9.27 4.44 4.33 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 1.31 0.00 0.00 25 E 8.97 4.07 0.00 2.02 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 2.36 2.39 0.00 26 N 8.32 4.41 0.00 2.79 2.93 0.00 0.00 7.04 7.69 0.00 0.00 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 G 7.26 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.59 4.62 0.00 2.41 2.12 0.00 0.00 0.00 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 2.38 0.00 29 V 8.61 3.62 1.62 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 0.68 0.00 0.00 -0.12 0.00 0.00 30 Y 8.39 5.04 0.00 2.78 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 31 F 9.24 4.99 0.00 3.26 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.86 4.26 2.07 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.32 0.67 0.00 0.00 33 D 8.63 3.46 0.00 1.58 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 0.00 0.00 0.00 0.00 34 H 8.77 3.98 0.00 3.25 3.26 0.00 5.71 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 35 N 7.83 4.13 0.00 2.84 3.04 0.00 0.00 5.78 7.18 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 36 T 8.21 4.41 4.18 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 1.20 0.00 0.00 37 K 7.92 3.69 0.00 1.83 1.83 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.48 7.81 38 T 8.08 4.79 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 1.14 0.00 0.00 39 T 8.25 4.94 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 1.05 0.00 0.00 40 S 8.70 4.64 0.00 3.99 3.87 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 0.00 0.00 0.00 41 W 8.97 4.62 0.00 3.41 3.24 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 0.00 42 L 7.89 4.67 0.00 1.69 1.62 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 43 D 7.90 3.37 0.00 1.58 2.18 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 44 P 0.00 4.11 0.00 1.35 1.15 0.00 2.79 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.44 0.00 45 R 7.64 3.66 0.00 1.97 1.93 0.00 3.14 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.36 0.00 46 C 8.61 4.16 0.00 2.91 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 47 L 8.00 4.30 0.00 1.69 1.55 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.68 4.49 0.00 2.66 2.83 0.00 0.00 6.75 7.59 0.00 0.00 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 K 7.68 4.29 0.00 1.69 1.74 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.43 7.81 50 Q 8.56 4.18 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 7.24 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 51 Q 8.46 4.25 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 52 S 8.26 4.51 0.00 3.84 3.77 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 53 G 8.59 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 54 P 0.00 4.35 0.00 2.19 2.08 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 55 S 8.38 4.60 0.00 3.84 3.80 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 56 S 9.01 4.17 0.00 3.84 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 57 G 7.93 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00