NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3304 8.1593 117.3725 62.3632 70.0113 173.2764 2 P 4.2434 0.0000 0.0000 62.3602 32.3344 174.0711 3 D 4.5117 8.9280 122.6046 55.3446 41.3088 177.9538 4 C 4.9948 8.5538 119.8573 56.7351 47.3954 174.3985 5 V 4.4229 7.1486 114.2350 61.3589 33.6292 172.2059 6 T 4.9506 9.2936 119.1971 60.7220 72.4943 174.4041 7 G 3.8724 7.4815 111.7330 45.3452 0.0000 171.8887 8 K 4.3622 7.9110 118.6740 55.7639 32.7796 177.0133 9 V 3.8697 8.0813 121.0154 62.5251 31.5796 175.7684 10 E 4.3911 8.9899 128.8030 59.1885 30.3662 176.7918 11 Y 4.8715 6.9726 114.0217 56.3736 40.5948 173.3897 12 T 5.0412 8.7666 110.8248 60.1131 72.2806 173.0769 13 K 4.5244 8.1732 123.2784 55.3474 36.1287 173.8944 14 Y 4.7952 8.7438 128.7337 56.7165 39.8740 174.3163 15 N 5.0114 8.2840 123.7934 51.1581 41.0097 175.2871 16 D 4.4424 8.8129 120.2708 57.5368 41.1863 177.0934 17 D 4.6477 8.0108 115.5887 53.1500 39.5633 176.5549 18 D 4.3605 8.3605 118.7051 54.9361 39.2913 174.1061 19 T 4.5587 7.7615 110.3833 61.0822 71.1091 173.2558 20 F 5.4294 9.3838 124.3883 56.7741 42.6620 173.7661 21 T 5.2742 8.5317 121.8209 61.9197 70.4257 173.5859 22 V 4.7463 8.7924 117.7763 59.3771 36.3195 174.9023 23 K 4.3601 8.2855 123.6048 54.7395 34.2833 174.7939 24 V 4.6196 7.9034 126.8052 60.6746 34.7452 176.8094 25 G 3.8715 8.7772 115.4798 46.9964 0.0000 175.7241 26 D 4.7799 8.7856 122.9415 53.2423 41.3577 176.5762 27 K 4.6763 7.3537 118.6471 55.7307 33.7366 175.9222 28 E 4.8612 8.7411 122.9277 54.4428 30.4804 174.6277 29 L 5.2615 8.2625 126.0197 53.2406 44.9350 174.4939 30 F 5.5010 8.5432 114.2748 56.5060 41.7361 173.3083 31 T 3.9776 8.5087 110.3529 61.3212 70.6348 173.7861 32 N 4.8806 8.4998 122.1101 52.4816 38.4187 174.9056 33 R 4.1353 7.6440 119.9132 55.3845 29.4608 176.8312 34 W 4.6436 8.9032 124.7837 60.1082 29.0554 178.7656 35 N 4.3583 8.4782 115.1286 56.4503 38.3298 176.8632 36 L 4.2525 7.8822 116.7186 56.6364 41.5528 179.2858 37 Q 2.9141 7.7300 119.3455 58.4612 28.5743 178.4760 38 S 4.0258 7.7493 114.3939 61.6774 63.1963 176.0798 39 L 3.7692 7.2270 119.8028 57.4067 41.2347 179.7368 40 L 4.3357 7.9867 118.5378 57.8133 41.7226 179.2564 41 L 4.1241 8.0358 120.2020 58.2722 42.0253 179.2027 42 S 4.1366 8.4166 115.2059 61.4834 62.6057 176.5194 43 A 4.0799 7.8981 123.0805 55.2173 17.9720 179.4706 44 Q 4.0213 8.3279 117.1960 58.6986 29.1260 178.0154 45 I 4.0893 7.3895 120.4383 64.0566 37.7081 177.6738 46 T 4.2252 7.7712 107.8960 62.1983 68.9426 175.5632 47 G 3.9134 8.0263 109.3304 45.9854 0.0000 173.4299 48 M 4.2864 7.5551 118.6074 55.8195 33.0593 175.9632 49 T 4.4781 8.1586 116.9966 62.6522 70.4005 174.7024 50 V 4.8112 8.4399 119.3073 59.8397 35.5475 174.7684 51 T 4.9086 8.4997 118.0490 61.8627 72.5431 173.1334 52 I 4.5357 8.3973 126.2232 59.3375 40.0299 174.5512 53 K 4.8993 8.1399 126.7962 54.5898 33.0328 175.7669 54 T 4.4324 8.1806 117.9509 61.6981 69.7533 172.6830 55 N 4.5992 8.8028 122.1833 55.1387 39.7422 176.7040 56 A 4.3013 7.6294 121.8910 52.1445 18.4948 178.5441 57 C 4.8341 7.9028 118.6418 57.2488 40.2669 171.8274 58 H 5.0250 7.3255 116.4031 53.6499 31.8913 173.1501 59 N 4.2947 8.8312 117.3473 55.6326 38.6110 176.2098 60 G 4.1187 9.1796 111.8147 45.0528 0.0000 173.6813 61 G 4.0617 7.8828 108.0119 45.1599 0.0000 173.8906 62 G 3.6476 8.6341 109.6131 44.9810 0.0000 172.5145 63 F 5.2406 7.8505 115.1092 55.5807 40.8002 174.4554 64 S 4.4911 8.7990 110.1148 57.6982 65.6252 173.5814 65 E 4.6932 8.2565 121.4236 54.8775 31.1097 175.2472 66 V 4.6880 8.3079 123.0319 61.1081 35.2528 174.2601 67 I 4.4259 8.2645 126.7661 59.4890 40.3683 174.3296 68 F 4.8583 8.8802 126.0822 56.1467 40.4838 176.1647 69 R 4.3474 8.6283 122.6695 56.1845 30.3371 176.3957 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 T 8.16 4.33 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 1.18 0.00 0.00 2 P 0.00 4.24 0.00 2.17 2.16 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 3 D 8.93 4.51 0.00 2.53 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.55 4.99 0.00 3.03 3.15 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 0.00 0.00 0.00 0.00 5 V 7.15 4.42 1.99 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 0.48 0.00 0.00 0.89 0.00 0.00 6 T 9.29 4.95 4.19 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 0.00 0.00 0.00 1.20 0.00 0.00 7 G 7.48 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 0.00 0.00 0.00 8 K 7.91 4.36 0.00 1.76 1.76 0.00 2.04 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.37 7.81 9 V 8.08 3.87 2.13 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 0.83 0.00 0.00 0.99 0.00 0.00 10 E 8.99 4.39 0.00 1.86 2.03 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 2.35 2.23 0.00 11 Y 6.97 4.87 0.00 3.02 3.03 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 12 T 8.77 5.04 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 1.41 0.00 0.00 13 K 8.17 4.52 0.00 1.84 1.62 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.34 1.40 7.81 14 Y 8.74 4.80 0.00 3.26 2.91 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 15 N 8.28 5.01 0.00 2.95 2.65 0.00 0.00 6.24 8.21 0.00 0.00 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 D 8.81 4.44 0.00 2.66 2.75 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 17 D 8.01 4.65 0.00 2.83 2.75 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 18 D 8.36 4.36 0.00 3.20 3.33 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 19 T 7.76 4.56 4.64 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 0.00 0.00 0.00 1.43 0.00 0.00 20 F 9.38 5.43 0.00 3.00 2.94 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 21 T 8.53 5.27 4.22 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 0.00 0.00 0.00 1.29 0.00 0.00 22 V 8.79 4.75 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 1.06 0.00 0.00 1.08 0.00 0.00 23 K 8.29 4.36 0.00 0.95 0.74 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.82 1.05 7.81 24 V 7.90 4.62 1.93 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 0.88 0.00 0.00 0.78 0.00 0.00 25 G 8.78 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 0.00 0.00 0.00 26 D 8.79 4.78 0.00 2.76 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 27 K 7.35 4.68 0.00 1.79 1.74 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.33 7.81 28 E 8.74 4.86 0.00 2.01 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 2.33 2.31 0.00 29 L 8.26 5.26 0.00 2.12 1.92 0.66 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.54 5.50 0.00 3.28 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.51 3.98 2.69 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 0.00 0.00 0.00 1.14 0.00 0.00 32 N 8.50 4.88 0.00 2.86 2.97 0.00 0.00 6.13 7.66 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 33 R 7.64 4.14 0.00 1.79 1.92 0.00 3.25 0.00 0.00 3.07 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 34 W 8.90 4.64 0.00 3.28 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 35 N 8.48 4.36 0.00 2.79 2.90 0.00 0.00 7.17 6.74 0.00 0.00 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 L 7.88 4.25 0.00 1.88 1.79 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 7.73 2.91 0.00 1.81 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 1.72 2.29 0.00 38 S 7.75 4.03 0.00 3.98 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 0.00 39 L 7.23 3.77 0.00 1.80 1.42 0.94 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.99 4.34 0.00 2.19 2.09 1.41 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.04 4.12 0.00 1.97 1.85 1.10 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.42 4.14 0.00 3.96 3.85 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 0.00 0.00 0.00 0.00 43 A 7.90 4.08 1.65 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 0.00 0.00 44 Q 8.33 4.02 0.00 2.15 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.65 0.00 45 I 7.39 4.09 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.85 0.93 0.00 0.00 46 T 7.77 4.23 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 1.22 0.00 0.00 47 G 8.03 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 0.00 0.00 0.00 48 M 7.56 4.29 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.59 0.00 49 T 8.16 4.48 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 1.19 0.00 0.00 50 V 8.44 4.81 1.77 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 0.86 0.00 0.00 0.81 0.00 0.00 51 T 8.50 4.91 4.13 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 1.12 0.00 0.00 52 I 8.40 4.54 1.53 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.53 0.22 0.00 0.00 53 K 8.14 4.90 0.00 1.63 1.71 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.14 7.81 54 T 8.18 4.43 4.27 0.00 0.00 0.00 0.00 0.00 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 55 N 8.80 4.60 0.00 2.75 2.85 0.00 0.00 6.92 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 56 A 7.63 4.30 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 57 C 7.90 4.83 0.00 3.10 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 58 H 7.33 5.02 0.00 3.36 3.36 0.00 5.74 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.83 4.29 0.00 2.90 2.89 0.00 0.00 6.96 7.68 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 60 G 9.18 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 61 G 7.88 4.06 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 0.00 0.00 0.00 62 G 8.63 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 0.00 0.00 0.00 63 F 7.85 5.24 0.00 2.86 2.85 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 0.00 0.00 0.00 0.00 64 S 8.80 4.49 0.00 3.89 3.84 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 65 E 8.26 4.69 0.00 2.12 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 2.34 2.30 0.00 66 V 8.31 4.69 1.92 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 -0.29 0.00 0.00 0.99 0.00 0.00 67 I 8.26 4.43 1.76 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 1.19 0.54 0.89 0.00 0.00 68 F 8.88 4.86 0.00 2.97 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.63 4.35 0.00 1.94 1.81 0.00 3.14 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00