NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9308 8.1976 109.7368 45.1922 0.0000 174.6685 4 I 3.8729 7.7052 111.8989 60.7222 38.0639 174.1504 5 R 4.4560 8.0804 122.0157 55.8960 31.4580 176.8940 6 E 4.8554 8.4411 120.2572 54.2774 33.8719 175.5927 7 K 4.4650 8.5493 120.5332 56.6639 33.4797 176.2291 8 I 4.6900 8.5473 121.2550 59.6025 42.1690 173.5576 9 K 4.9424 8.4369 126.0245 54.6257 35.3375 175.3697 10 L 5.1889 8.9370 125.0894 52.5721 42.4817 176.2816 11 V 4.3782 8.3922 124.5948 61.0437 33.2411 175.9355 12 S 2.8148 8.0172 118.1100 58.0693 63.1709 174.4696 13 S 4.5008 7.3944 118.3674 58.0498 63.2919 174.3825 14 A 4.0518 7.5859 123.2780 51.7810 18.6756 179.0521 15 G 3.7969 8.2428 110.1461 45.0188 0.0000 172.9069 16 T 4.3630 7.5830 118.4323 60.6966 70.0875 173.8629 17 G 3.7282 8.6279 113.8719 48.0974 0.0000 173.8461 18 H 4.0006 7.7789 121.0716 56.8900 30.7246 174.1832 19 F 5.3446 7.5093 118.2766 56.0273 41.5441 172.6796 20 Y 5.0423 9.3085 116.5846 56.9126 41.1013 175.1189 21 T 5.1335 8.3353 116.2423 62.8044 72.8223 173.2964 22 T 4.5863 8.4161 118.7291 62.0214 71.6278 170.9788 23 T 5.0495 7.9678 111.7634 60.1684 71.8504 172.7007 24 K 4.3319 8.1176 118.0014 55.8044 34.9344 172.9909 25 N 5.0910 8.5041 124.4872 51.7825 40.6237 174.8986 26 K 4.8877 8.5144 123.6932 55.6906 32.5578 177.2713 27 R 4.8179 8.0329 115.1728 56.0341 31.8644 176.2364 28 T 4.6351 7.5914 104.1193 61.6063 70.4482 174.4063 29 K 4.4796 7.3698 118.4405 55.7420 34.3084 173.5867 30 P 4.5735 0.0000 0.0000 63.8224 31.9940 177.2825 31 E 4.1383 7.9830 115.8809 55.9143 29.8863 177.3567 32 K 3.9676 8.5288 120.2080 57.5964 33.1878 174.1768 33 L 3.8959 8.2601 126.7402 54.3022 42.9447 172.8319 34 E 5.0201 8.3706 121.0450 55.1112 32.8754 174.0183 35 L 4.7904 8.6198 119.8983 53.4916 46.9259 175.0337 36 K 4.7716 8.3024 121.5350 55.5958 34.1570 176.0204 37 K 4.0596 7.9043 121.2631 56.6457 37.4260 172.6166 38 F 4.7353 7.5910 118.2635 56.6896 41.4186 174.5460 39 D 4.6805 8.3208 128.3714 51.4885 41.3970 174.9528 40 P 4.1750 0.0000 0.0000 63.4102 32.2755 177.2786 41 V 3.6435 7.5972 118.9202 65.4183 31.4885 176.6354 42 V 4.1784 7.3488 108.7299 60.2855 32.7912 175.3801 43 R 3.5093 7.5323 117.9832 56.8604 27.9842 175.3850 44 Q 4.8013 7.2070 116.4586 54.4207 33.2490 174.3683 45 H 4.9622 9.2121 121.3225 56.3939 29.7615 174.7701 46 V 4.2991 8.4011 118.6081 61.1445 35.0290 171.6103 47 I 4.4013 7.9805 121.7089 61.2367 39.3213 174.1533 48 Y 4.5555 8.8585 123.8164 56.6267 41.7700 175.1107 49 K 4.7176 8.2240 125.5189 55.5664 35.2641 176.0176 50 E 4.2470 8.9634 117.5873 56.9415 28.3751 174.7927 51 A 4.9253 7.9151 119.2435 49.4691 21.0547 176.7268 52 K 4.1274 8.2241 119.2644 56.9389 32.3881 174.5854 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 3 G 8.20 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 7.71 3.87 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 1.41 0.76 0.91 0.00 0.00 5 R 8.08 4.46 0.00 1.74 1.90 0.00 3.11 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.61 0.00 6 E 8.44 4.86 0.00 1.91 1.78 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 2.21 2.25 0.00 7 K 8.55 4.47 0.00 1.63 1.73 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.44 7.81 8 I 8.55 4.69 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 1.23 1.35 0.90 0.00 0.00 9 K 8.44 4.94 0.00 1.57 1.54 0.00 1.21 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.01 1.15 7.81 10 L 8.94 5.19 0.00 1.80 1.82 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.39 4.38 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 0.72 0.00 0.00 1.06 0.00 0.00 12 S 8.02 2.81 0.00 3.74 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.39 4.50 0.00 4.01 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.59 4.05 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 15 G 8.24 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 0.00 0.00 0.00 16 T 7.58 4.36 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 1.26 0.00 0.00 17 G 8.63 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.78 4.00 0.00 3.12 3.23 0.00 5.56 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.51 5.34 0.00 3.27 3.12 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 20 Y 9.31 5.04 0.00 2.92 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 21 T 8.34 5.13 4.35 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 0.00 0.00 0.00 1.31 0.00 0.00 22 T 8.42 4.59 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 1.26 0.00 0.00 23 T 7.97 5.05 4.34 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 1.22 0.00 0.00 24 K 8.12 4.33 0.00 1.88 1.62 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.26 1.34 7.81 25 N 8.50 5.09 0.00 2.80 2.66 0.00 0.00 6.96 6.75 0.00 0.00 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 K 8.51 4.89 0.00 1.84 1.77 0.00 1.93 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.39 7.81 27 R 8.03 4.82 0.00 1.81 1.86 0.00 3.14 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 28 T 7.59 4.64 4.24 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 1.21 0.00 0.00 29 K 7.37 4.48 0.00 1.77 1.82 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.26 1.32 7.81 30 P 0.00 4.57 0.00 2.08 2.10 0.00 3.79 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 31 E 7.98 4.14 0.00 2.08 1.96 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 2.28 2.31 0.00 32 K 8.53 3.97 0.00 1.87 1.99 0.00 1.58 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.49 7.81 33 L 8.26 3.90 0.00 1.79 1.74 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.37 5.02 0.00 2.12 1.87 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 2.18 2.35 0.00 35 L 8.62 4.79 0.00 1.52 1.50 0.89 0.83 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 36 K 8.30 4.77 0.00 1.80 1.76 0.00 1.94 0.00 0.00 1.68 0.00 0.00 2.67 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.65 1.50 7.81 37 K 7.90 4.06 0.00 1.22 0.74 0.00 1.40 0.00 0.00 1.29 0.00 0.00 2.93 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.30 0.93 7.81 38 F 7.59 4.74 0.00 2.79 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 39 D 8.32 4.68 0.00 2.75 2.30 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 0.00 40 P 0.00 4.17 0.00 2.25 2.30 0.00 3.37 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.00 0.00 41 V 7.60 3.64 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 0.77 0.00 0.00 0.87 0.00 0.00 42 V 7.35 4.18 1.95 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 0.73 0.00 0.00 0.92 0.00 0.00 43 R 7.53 3.51 0.00 1.93 2.14 0.00 3.18 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 44 Q 7.21 4.80 0.00 2.27 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 45 H 9.21 4.96 0.00 3.20 3.33 0.00 5.99 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.40 4.30 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 0.53 0.00 0.00 0.90 0.00 0.00 47 I 7.98 4.40 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.22 0.91 0.00 0.00 48 Y 8.86 4.56 0.00 3.03 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 49 K 8.22 4.72 0.00 1.68 1.76 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.39 7.81 50 E 8.96 4.25 0.00 2.19 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 0.00 2.26 2.23 0.00 51 A 7.92 4.93 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 52 K 8.22 4.13 0.00 1.76 1.67 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.29 7.81