NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5017 0.0000 0.0000 62.3881 33.8077 174.6189 2 F 5.2607 8.7726 123.3235 56.4048 41.5163 172.5401 3 I 4.1848 9.0882 128.7018 59.3850 39.7684 173.8180 4 E 4.6895 8.2819 128.1395 54.3956 31.5676 174.4864 5 C 4.7122 8.9848 125.0892 58.3111 31.0232 172.5986 6 H 5.5189 8.8856 121.9445 54.2453 29.7070 174.1423 7 I 4.8101 8.7690 116.6862 58.3195 41.3951 174.7480 8 A 4.5565 8.5196 124.4872 52.1134 18.8043 177.5083 9 T 3.8882 8.5941 116.8893 62.7226 67.8031 173.8583 10 G 4.1180 9.0464 112.4914 45.8256 0.0000 174.7778 11 L 4.1917 7.6634 118.7848 54.2516 42.4114 177.4922 12 S 4.4249 8.3260 116.2663 57.8801 65.2286 175.7570 13 V 3.5709 8.2633 122.8726 65.0208 31.0599 178.3530 14 A 3.9279 7.9025 121.1875 54.7775 18.2709 179.2638 15 R 3.7182 8.3793 117.6477 59.6570 30.0022 178.9144 16 K 3.9917 8.4410 118.5523 59.4839 32.0788 179.4602 17 Q 3.9761 8.5082 118.8187 58.9597 28.6357 178.5853 18 Q 3.9718 8.8460 121.4376 58.7939 28.9849 177.7654 19 L 3.9172 8.1906 121.7741 58.2999 42.1405 179.0457 20 I 3.6920 7.9425 119.7045 64.5111 37.0521 178.6322 21 R 3.9469 8.0080 118.8040 59.4153 29.8423 178.8866 22 D 4.3738 8.6627 118.9821 57.4635 40.8154 179.3346 23 V 3.6297 8.1667 113.2963 64.2661 31.5254 178.6805 24 I 3.6994 7.8134 119.6193 64.4052 36.9088 177.9701 25 D 4.3246 8.2106 119.0450 57.4058 41.0585 178.7108 26 V 3.6478 8.0406 119.7204 64.9062 31.4394 178.5811 27 T 3.8581 8.0299 116.6254 66.2997 68.1594 176.1071 28 N 4.5679 8.1731 120.3512 56.2521 38.7743 177.1401 29 K 4.0434 8.0830 118.9365 59.1509 32.2052 179.3306 30 S 4.3392 8.1758 114.1028 60.5880 63.4651 175.1248 31 I 4.2215 7.6013 112.3972 59.5217 38.2305 176.2047 32 G 3.8955 8.0684 109.0905 45.9296 0.0000 173.8663 33 S 4.2290 7.7484 116.5204 57.7805 63.5976 173.3354 34 D 4.4729 8.6013 124.8996 53.4780 41.8235 175.1756 35 P 4.3092 0.0000 0.0000 65.4718 31.5362 178.6106 36 K 4.1085 8.5579 117.1953 58.3404 31.9863 177.6789 37 I 4.4256 7.8357 110.7484 60.3200 37.7125 174.7016 38 I 4.6756 7.4986 121.9067 60.3459 38.6306 174.9822 39 N 5.1840 9.3431 123.7103 51.4680 42.5251 173.5829 40 V 4.9920 8.5852 121.9508 60.9944 34.9545 174.1299 41 L 4.8241 8.9641 129.0123 53.3087 44.9350 174.6850 42 L 5.0427 8.6267 126.1710 53.1496 43.4885 175.9579 43 V 4.3978 8.9019 123.9470 61.0560 34.4660 173.8196 44 E 5.1776 8.7294 126.7529 55.1588 31.5120 174.9904 45 H 5.0868 9.0997 119.5435 53.5484 33.7227 173.0283 46 A 4.3540 8.5547 123.7264 52.0158 19.2856 178.5033 47 E 3.8018 9.0133 121.4086 59.5849 29.6197 179.5995 48 A 4.0964 7.8742 119.5003 54.5315 18.5128 177.4965 49 N 4.7296 8.0360 111.7191 53.4935 39.0384 174.8485 50 M 4.7084 7.8270 118.4099 53.2897 34.8696 175.0387 51 S 4.6453 8.5394 116.6446 56.5099 65.2668 172.7660 52 I 4.4027 8.2625 128.1066 60.8032 38.9729 175.8594 53 S 3.4306 9.6015 120.2251 59.7368 60.2572 173.4005 54 G 3.9163 8.4098 105.0702 45.8650 0.0000 174.5646 55 R 4.1084 7.8213 119.1370 55.6475 30.6637 175.9888 56 I 4.3385 8.0496 123.2255 59.3408 38.5435 175.1734 57 H 3.9976 8.7681 125.7552 57.4162 30.3111 175.0847 58 G 4.0345 8.3468 113.7936 45.9916 0.0000 173.1559 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 P 0.00 4.50 0.00 2.12 2.06 0.00 3.58 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 2 F 8.77 5.26 0.00 2.93 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 3 I 9.09 4.18 1.80 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.55 0.81 0.00 0.00 4 E 8.28 4.69 0.00 1.25 1.51 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 1.87 2.13 0.00 5 C 8.98 4.71 0.00 2.79 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 6 H 8.89 5.52 0.00 3.02 3.26 0.00 5.64 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.77 4.81 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.77 0.91 0.00 0.00 8 A 8.52 4.56 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 9 T 8.59 3.89 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 1.21 0.00 0.00 10 G 9.05 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.66 4.19 0.00 1.65 1.61 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.33 4.42 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 13 V 8.26 3.57 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 0.89 0.00 0.00 0.97 0.00 0.00 14 A 7.90 3.93 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 15 R 8.38 3.72 0.00 1.85 2.05 0.00 3.09 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 16 K 8.44 3.99 0.00 2.05 1.83 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.18 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.47 7.81 17 Q 8.51 3.98 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 18 Q 8.85 3.97 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 19 L 8.19 3.92 0.00 1.92 1.89 0.91 1.27 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 20 I 7.94 3.69 2.02 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 1.52 0.82 0.92 0.00 0.00 21 R 8.01 3.95 0.00 2.02 1.98 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 22 D 8.66 4.37 0.00 2.83 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.17 3.63 2.06 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 0.90 0.00 0.00 1.02 0.00 0.00 24 I 7.81 3.70 2.01 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 1.42 0.81 0.92 0.00 0.00 25 D 8.21 4.32 0.00 2.75 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 V 8.04 3.65 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 0.81 0.00 0.00 0.93 0.00 0.00 27 T 8.03 3.86 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 28 N 8.17 4.57 0.00 2.82 3.02 0.00 0.00 6.82 5.67 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 29 K 8.08 4.04 0.00 1.76 1.85 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.63 1.59 7.81 30 S 8.18 4.34 0.00 4.02 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 0.00 31 I 7.60 4.22 1.87 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 1.39 0.72 0.91 0.00 0.00 32 G 8.07 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 33 S 7.75 4.23 0.00 3.91 3.82 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 34 D 8.60 4.47 0.00 2.75 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 35 P 0.00 4.31 0.00 2.22 2.11 0.00 3.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 36 K 8.56 4.11 0.00 1.81 1.88 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.50 7.81 37 I 7.84 4.43 1.88 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 1.39 0.71 0.92 0.00 0.00 38 I 7.50 4.68 1.89 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 0.78 0.94 0.00 0.00 39 N 9.34 5.18 0.00 2.78 2.75 0.00 0.00 6.04 8.52 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 40 V 8.59 4.99 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 0.82 0.00 0.00 0.95 0.00 0.00 41 L 8.96 4.82 0.00 2.05 1.56 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.63 5.04 0.00 1.55 1.56 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.90 4.40 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 1.01 0.00 0.00 0.91 0.00 0.00 44 E 8.73 5.18 0.00 1.83 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 2.28 0.00 45 H 9.10 5.09 0.00 3.01 3.12 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.55 4.35 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 47 E 9.01 3.80 0.00 1.72 1.53 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 2.33 2.16 0.00 48 A 7.87 4.10 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 49 N 8.04 4.73 0.00 2.89 2.84 0.00 0.00 6.76 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 M 7.83 4.71 0.00 1.95 1.90 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 2.47 2.33 0.00 51 S 8.54 4.65 0.00 3.76 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.26 4.40 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.76 0.91 0.00 0.00 53 S 9.60 3.43 0.00 3.99 3.92 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 0.00 0.00 0.00 54 G 8.41 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.82 4.11 0.00 2.08 1.88 0.00 3.14 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 56 I 8.05 4.34 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.83 0.92 0.00 0.00 57 H 8.77 4.00 0.00 3.11 3.22 0.00 5.79 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.35 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