NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 2.0000 8.3049 120.2636 53.9948 34.0089 175.1642 2 K 3.9675 7.7413 115.3354 55.9461 37.1763 172.8941 3 K 3.7913 8.2443 113.3332 56.9319 30.0322 173.3887 4 D 4.4817 7.7824 123.8794 55.4837 39.1954 177.8265 5 I 4.3086 7.3095 111.2048 59.7605 40.3241 174.5321 6 H 3.9413 8.8917 121.5997 56.0473 27.6469 172.9114 7 P 5.2258 0.0000 0.0000 63.3580 31.6593 177.5166 8 K 4.7365 8.0488 121.8328 55.4150 37.0156 174.2031 9 Y 4.7433 8.5692 120.9826 58.0669 42.4483 171.4354 10 E 4.0051 6.7184 121.5420 55.9717 28.8657 176.0750 11 E 4.4692 8.5981 123.2685 55.5853 31.6101 175.8859 12 I 4.8198 8.1445 114.4297 59.8774 40.3711 175.1824 13 T 4.6537 7.9550 111.8763 60.9874 72.0365 171.4952 14 A 5.0074 8.4342 121.5058 51.1071 23.0273 175.6849 15 S 4.6407 9.6332 116.0635 58.1056 66.1273 173.9792 16 C 4.7038 8.1122 116.8083 59.6044 30.9020 175.0014 17 S 4.4914 8.8497 118.3468 58.1004 63.3408 174.6779 18 C 4.3193 7.9595 123.6326 61.0987 28.6346 174.9130 19 G 3.9763 7.9203 107.2695 45.4698 0.0000 175.5407 20 N 4.8759 8.0092 121.8215 50.1941 40.4926 172.8765 21 V 4.7995 7.4343 128.6490 61.8415 32.1348 170.7458 22 M 5.1738 7.5939 121.1137 53.8584 31.8474 175.1984 23 K 4.2103 8.2665 120.4626 56.2965 33.8307 176.2331 24 I 3.7823 8.3714 120.3825 61.1397 38.1547 175.9324 25 R 4.7732 8.6293 126.1780 56.7785 32.8655 174.9225 26 S 4.7784 8.1074 110.3227 58.3947 65.5109 177.2082 27 T 4.5950 8.2090 124.1392 62.2042 69.0098 172.3808 28 V 3.8204 7.5010 111.7792 61.5225 40.3000 172.4454 29 G 4.2625 6.9086 108.1273 44.5445 0.0000 175.0881 30 H 4.9362 8.7965 122.2122 53.9071 33.6034 170.9092 31 D 5.0316 8.4340 128.6050 52.2008 40.2165 178.2796 32 L 3.8702 9.2381 118.8698 54.0232 40.8859 172.7323 33 N 5.1434 7.9549 111.5138 53.4308 40.5328 172.7050 34 L 4.7942 7.3381 125.3258 52.5653 42.3664 174.4929 35 D 4.8875 9.4944 134.6186 54.8188 40.6097 173.6717 36 V 4.4961 8.3161 116.0107 60.3705 34.9809 173.8022 37 C 4.2413 8.8853 126.5561 59.0032 31.7007 173.3478 38 S 4.6473 8.7997 122.2888 58.9664 61.9019 174.0729 39 K 4.5663 7.4860 114.7609 54.8459 32.9078 175.6498 40 C 4.5618 7.2656 119.8241 58.1781 34.7066 173.3375 41 H 4.9836 8.2762 119.7460 53.1363 33.2593 172.8358 42 P 4.9195 0.0000 0.0000 63.3397 28.1850 174.9968 43 F 4.6876 8.8490 125.7880 58.1340 40.2794 174.4161 44 F 5.8557 8.5131 117.0929 55.1951 41.1302 173.8584 45 T 3.5717 7.9808 109.1542 61.3476 70.0931 172.0414 46 G 4.3349 8.1131 115.2622 45.3323 0.0000 172.6619 47 K 5.0553 8.5327 124.4053 54.6699 36.2924 175.9151 48 Q 4.8149 8.4394 121.4840 55.3204 30.0848 176.9180 49 R 4.0065 8.3386 119.0879 59.3748 30.0126 177.4930 50 D 4.4818 7.8068 116.6650 55.9663 40.6055 177.8093 51 V 4.0274 7.3388 117.8933 64.3458 32.0488 177.6139 52 A 3.8580 8.2989 121.0773 54.5815 18.4329 177.7098 53 T 4.0639 7.1327 110.3829 63.1446 68.0936 172.9921 54 G 4.3992 8.8147 120.7086 46.2701 0.0000 176.3571 55 G 3.5766 8.1752 109.2829 47.9520 0.0000 175.5497 56 R 4.1979 8.1557 114.9859 56.7662 29.6898 177.8486 57 V 3.7837 7.6762 119.2565 65.8060 31.6348 177.2934 58 D 4.7047 7.6094 114.0474 54.5087 43.3906 175.0141 59 R 4.3309 9.1578 115.5926 54.8872 30.7143 177.5103 60 F 4.4930 9.9007 129.1869 59.4115 40.5018 173.9400 61 N 4.5118 9.2584 115.5915 54.6280 41.4254 175.7584 62 K 4.1660 8.0505 113.0135 56.9389 31.9719 177.0991 63 R 4.4708 7.9661 120.7531 56.4196 32.4543 177.2194 64 F 3.7967 8.3696 119.5229 61.1233 38.7557 176.2775 65 N 4.3161 8.3659 115.5636 56.3716 36.8111 176.7855 66 I 3.8369 7.8345 121.6027 63.7508 37.0802 176.6039 67 P 4.2756 0.0000 0.0000 65.3142 31.0288 178.1942 68 G 3.8901 7.6724 103.9986 47.4866 0.0000 174.5868 69 S 4.5266 7.6645 117.5783 55.5305 62.4088 174.4157 70 K 3.9683 7.8881 122.9731 58.1926 31.9283 177.1149 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 M 8.30 2.00 0.00 1.61 1.77 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.85 0.00 2 K 7.74 3.97 0.00 1.72 1.65 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.31 1.37 7.81 3 K 8.24 3.79 0.00 1.90 1.79 0.00 1.84 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.44 1.49 7.81 4 D 7.78 4.48 0.00 2.42 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 5 I 7.31 4.31 1.86 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 1.27 0.80 0.82 0.00 0.00 6 H 8.89 3.94 0.00 3.25 3.30 0.00 5.77 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 5.23 0.00 2.12 2.07 0.00 3.43 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.86 0.00 8 K 8.05 4.74 0.00 1.65 1.75 0.00 1.87 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.55 1.38 7.81 9 Y 8.57 4.74 0.00 3.06 2.81 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 10 E 6.72 4.01 0.00 1.41 1.70 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 2.19 2.41 0.00 11 E 8.60 4.47 0.00 1.97 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 0.00 2.44 2.24 0.00 12 I 8.14 4.82 1.85 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 1.38 0.64 0.89 0.00 0.00 13 T 7.96 4.65 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 1.19 0.00 0.00 14 A 8.43 5.01 1.23 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 0.00 0.00 0.00 15 S 9.63 4.64 0.00 3.78 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 16 C 8.11 4.70 0.00 2.83 2.81 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 17 S 8.85 4.49 0.00 3.97 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 18 C 7.96 4.32 0.00 3.21 3.14 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 19 G 7.92 3.98 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 0.00 0.00 0.00 20 N 8.01 4.88 0.00 2.68 2.70 0.00 0.00 7.17 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 21 V 7.43 4.80 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 0.71 0.00 0.00 0.96 0.00 0.00 22 M 7.59 5.17 0.00 1.87 2.03 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.32 0.00 23 K 8.27 4.21 0.00 1.83 1.67 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.44 7.81 24 I 8.37 3.78 1.86 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 1.22 0.97 0.90 0.00 0.00 25 R 8.63 4.77 0.00 1.73 1.72 0.00 3.37 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 26 S 8.11 4.78 0.00 3.80 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.21 4.60 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 1.16 0.00 0.00 28 V 7.50 3.82 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 0.49 0.00 0.00 0.83 0.00 0.00 29 G 6.91 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 0.00 0.00 0.00 0.00 30 H 8.80 4.94 0.00 3.16 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.43 5.03 0.00 2.68 1.67 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 0.00 0.00 0.00 0.00 32 L 9.24 3.87 0.00 1.93 1.71 0.96 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.95 5.14 0.00 3.01 2.92 0.00 0.00 6.16 7.79 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 34 L 7.34 4.79 0.00 1.75 0.94 0.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 35 D 9.49 4.89 0.00 2.99 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 36 V 8.32 4.50 2.19 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 0.73 0.00 0.00 1.05 0.00 0.00 37 C 8.89 4.24 0.00 2.81 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 38 S 8.80 4.65 0.00 4.06 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 39 K 7.49 4.57 0.00 1.61 1.62 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.27 7.81 40 C 7.27 4.56 0.00 3.16 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 41 H 8.28 4.98 0.00 3.15 3.32 0.00 5.93 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.92 0.00 2.13 2.11 0.00 3.22 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 43 F 8.85 4.69 0.00 2.95 3.26 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 44 F 8.51 5.86 0.00 3.22 3.09 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 0.00 0.00 0.00 45 T 7.98 3.57 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 1.18 0.00 0.00 46 G 8.11 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 0.00 0.00 0.00 0.00 47 K 8.53 5.06 0.00 1.77 1.81 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.52 7.81 48 Q 8.44 4.81 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.97 0.00 0.00 0.00 0.00 0.00 2.69 2.30 0.00 49 R 8.34 4.01 0.00 1.81 1.77 0.00 3.16 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 50 D 7.81 4.48 0.00 2.83 2.67 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 0.00 0.00 0.00 0.00 51 V 7.34 4.03 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 1.07 0.00 0.00 0.97 0.00 0.00 52 A 8.30 3.86 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.13 4.06 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 1.33 0.00 0.00 54 G 8.81 4.40 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 0.00 55 G 8.18 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 4.20 0.00 1.87 2.08 0.00 3.05 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 57 V 7.68 3.78 2.28 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 0.76 0.00 0.00 0.96 0.00 0.00 58 D 7.61 4.70 0.00 2.64 2.57 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 0.00 0.00 0.00 0.00 59 R 9.16 4.33 0.00 1.95 1.70 0.00 3.38 0.00 0.00 3.11 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.85 0.00 60 F 9.90 4.49 0.00 3.07 3.26 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 61 N 9.26 4.51 0.00 1.92 2.47 0.00 0.00 7.21 6.01 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 62 K 8.05 4.17 0.00 1.90 1.83 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.40 7.81 63 R 7.97 4.47 0.00 1.87 1.85 0.00 3.14 0.00 0.00 3.09 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 64 F 8.37 3.80 0.00 3.07 2.88 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 65 N 8.37 4.32 0.00 2.89 2.98 0.00 0.00 6.06 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 66 I 7.83 3.84 1.82 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 1.75 0.93 0.89 0.00 0.00 67 P 0.00 4.28 0.00 1.78 1.85 0.00 3.81 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.94 0.00 68 G 7.67 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 0.00 0.00 0.00 69 S 7.66 4.53 0.00 3.94 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 70 K 7.89 3.97 0.00 1.86 1.97 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.46 7.81