NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 5.0528 8.3644 120.5053 54.2214 42.6576 173.9583 2 K 4.4451 9.0036 124.7110 53.6841 34.4181 172.9570 3 L 3.9985 8.2251 130.2274 53.2194 42.4093 175.5051 4 I 4.2573 7.8089 118.7240 60.4226 40.4889 176.3854 5 G 3.9912 6.5936 109.2275 46.1923 0.0000 171.7080 6 S 4.9686 8.4988 117.7255 57.0068 66.5005 171.9213 7 C 5.0219 8.6877 120.2484 55.6284 40.5470 174.1792 8 V 4.5789 7.7657 118.7541 60.2829 33.8003 174.4092 9 W 3.6901 8.5755 134.2026 57.5404 30.9026 173.6957 10 G 2.9289 8.2340 118.7486 45.4986 0.0000 174.1116 11 A 4.0932 7.3270 122.8840 51.9951 18.8306 178.0111 12 V 4.2756 8.1128 113.6213 61.4302 31.8107 176.9383 13 N 4.8244 8.0706 114.8521 51.2995 37.5890 173.6328 14 Y 5.6011 8.6521 121.4124 58.6650 39.7758 174.7112 15 T 4.1256 8.0635 117.3223 60.5189 69.6375 175.0865 16 S 3.8036 8.5073 122.2852 61.2735 63.3134 174.7141 17 N 4.4898 7.6721 119.0446 51.5266 40.7590 174.7307 18 C 3.9598 8.8337 128.4935 59.9991 44.7062 175.4212 19 R 3.9110 7.9832 119.0152 59.2888 29.7391 178.0728 20 A 3.9734 8.7132 120.8815 55.2759 18.4416 179.3006 21 E 3.8853 8.5187 117.3757 59.9086 29.6699 179.1142 22 C 4.2752 8.0008 115.8499 59.9596 40.0212 176.2620 23 K 4.5432 7.8921 120.2464 59.0927 31.9797 179.1731 24 R 4.1585 8.2613 118.3468 59.1689 29.7572 178.4989 25 R 4.3107 7.8915 115.9344 56.0716 31.3069 176.4480 26 G 3.7625 8.0549 104.3711 47.4094 0.0000 173.9655 27 Y 4.7686 7.5608 114.8300 55.2786 41.2565 177.6954 28 K 4.0945 8.6434 122.0556 59.1397 33.1579 178.0035 29 G 4.1179 7.5011 108.0539 46.2435 0.0000 171.7380 30 G 4.4205 8.2431 107.1237 45.8553 0.0000 172.5991 31 H 5.1595 9.1671 118.6928 53.6342 32.1083 171.3044 32 C 5.0751 8.9054 121.8459 54.8802 43.9967 171.6066 33 G 3.6596 9.6215 117.1103 45.4377 0.0000 173.4275 34 S 3.8971 9.1806 119.9365 59.0301 60.5929 172.3332 35 F 4.5768 9.0493 122.4152 57.7601 38.5487 175.1382 36 A 3.4763 8.5597 133.8979 54.8739 15.7255 177.0056 37 N 4.3324 7.7775 116.0797 53.4873 37.1911 175.4462 38 V 4.1499 8.0797 119.3970 64.3223 34.0321 177.1564 39 N 5.0914 8.1892 118.5815 51.7138 40.9480 174.5842 40 C 5.1305 8.4727 123.0304 54.8491 41.0213 172.1927 41 W 4.7061 8.9093 126.9626 54.8629 31.4075 174.7209 42 C 4.7760 9.2244 123.4967 56.4696 37.6573 173.0470 43 E 4.4296 9.2034 123.6461 57.1811 30.1214 177.3181 44 T 4.0439 8.4433 118.4982 62.8935 67.4337 172.4791 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 D 8.36 5.05 0.00 2.59 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 2 K 9.00 4.45 0.00 1.99 1.39 0.00 1.53 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.32 7.81 3 L 8.23 4.00 0.00 0.27 0.87 0.68 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 4 I 7.81 4.26 1.74 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.67 0.66 0.00 0.00 5 G 6.59 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 0.00 0.00 0.00 6 S 8.50 4.97 0.00 3.91 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 7 C 8.69 5.02 0.00 3.18 3.18 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 8 V 7.77 4.58 2.15 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 0.90 0.00 0.00 0.94 0.00 0.00 9 W 8.58 3.69 0.00 2.77 2.84 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 0.00 0.00 0.00 0.00 10 G 8.23 2.93 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 11 A 7.33 4.09 1.34 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 0.00 0.00 0.00 12 V 8.11 4.28 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 0.79 0.00 0.00 0.90 0.00 0.00 13 N 8.07 4.82 0.00 2.77 2.93 0.00 0.00 6.65 7.08 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 14 Y 8.65 5.60 0.00 3.02 3.11 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 0.00 0.00 0.00 15 T 8.06 4.13 4.07 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 1.10 0.00 0.00 16 S 8.51 3.80 0.00 3.78 3.89 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 17 N 7.67 4.49 0.00 2.65 2.60 0.00 0.00 6.79 7.64 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 18 C 8.83 3.96 0.00 2.99 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 19 R 7.98 3.91 0.00 2.01 2.03 0.00 3.26 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 20 A 8.71 3.97 1.35 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 0.00 0.00 0.00 21 E 8.52 3.89 0.00 1.87 1.97 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 2.48 2.42 0.00 22 C 8.00 4.28 0.00 3.05 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 23 K 7.89 4.54 0.00 1.98 1.91 0.00 1.70 0.00 0.00 1.58 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.57 7.81 24 R 8.26 4.16 0.00 2.04 2.00 0.00 3.11 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.01 0.00 25 R 7.89 4.31 0.00 2.25 2.14 0.00 3.33 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.96 0.00 26 G 8.05 3.76 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 0.00 0.00 0.00 27 Y 7.56 4.77 0.00 3.11 2.86 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 28 K 8.64 4.09 0.00 1.88 1.93 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.65 1.60 7.81 29 G 7.50 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 30 G 8.24 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.17 5.16 0.00 3.15 3.39 0.00 5.26 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 C 8.91 5.08 0.00 3.04 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 33 G 9.62 3.66 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 0.00 0.00 0.00 34 S 9.18 3.90 0.00 4.30 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 35 F 9.05 4.58 0.00 2.94 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 36 A 8.56 3.48 0.97 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 37 N 7.78 4.33 0.00 2.94 2.93 0.00 0.00 6.30 7.67 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 38 V 8.08 4.15 2.22 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 0.93 0.00 0.00 0.99 0.00 0.00 39 N 8.19 5.09 0.00 2.98 2.86 0.00 0.00 6.84 7.80 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 40 C 8.47 5.13 0.00 2.96 2.83 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 41 W 8.91 4.71 0.00 2.92 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 42 C 9.22 4.78 0.00 2.18 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.20 4.43 0.00 2.10 1.98 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 2.45 2.47 0.00 44 T 8.44 4.04 4.63 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 1.42 0.00 0.00