NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9051 8.3544 109.7384 45.0181 0.0000 173.1156 2 S 4.1176 8.4111 115.2005 57.2181 63.0193 172.5054 3 S 4.2707 9.2096 124.5466 60.7137 63.8401 174.9938 4 G 4.3623 7.6586 115.6781 46.1015 0.0000 172.6894 5 S 4.6022 7.4213 114.3726 56.4637 63.7555 172.9080 6 S 4.6529 8.5124 122.8051 56.9493 64.2241 174.9470 7 G 3.8077 7.6119 114.5135 43.0162 0.0000 171.2427 8 F 5.0853 7.6705 120.6270 56.0736 43.5625 174.0101 9 C 4.0750 8.7661 126.7488 62.3332 31.3350 173.3841 10 G 4.1238 7.4432 104.3355 45.9950 0.0000 171.1036 11 R 4.9130 8.4861 119.2268 54.7467 34.1735 175.1990 12 A 4.9832 8.4321 125.0237 50.3472 23.0887 174.8770 13 R 4.6101 8.6156 121.1228 54.8532 32.8439 175.1797 14 V 4.3887 8.1665 125.7077 62.5564 32.0137 175.8224 15 H 4.7343 8.7408 123.4944 56.1992 29.7083 175.0467 16 T 4.6579 7.6797 112.7516 60.2325 70.3376 172.9448 17 D 5.0116 8.6605 126.8465 53.0209 41.5652 175.4016 18 F 4.7382 9.2553 126.6100 56.4513 42.8263 174.3408 19 T 4.8237 6.7666 119.8698 60.9509 71.3953 172.2522 20 P 4.7533 0.0000 0.0000 62.1166 32.5011 176.0857 21 S 4.3373 8.3515 114.4183 57.6213 63.2441 173.6494 22 P 4.4171 0.0000 0.0000 64.0805 30.9655 176.3176 23 Y 4.6116 7.5072 115.5479 58.3328 40.1421 175.1759 24 D 4.7174 7.7520 119.8148 53.4826 40.6733 176.0349 25 T 4.3227 8.3480 119.0075 63.0442 68.3697 175.6294 26 D 4.5190 8.1849 121.2912 57.5370 41.1045 176.5585 27 S 4.4828 7.9179 114.6732 58.4950 63.2120 174.5447 28 L 4.3768 7.8734 122.6326 53.9616 42.9705 177.0112 29 K 4.3210 8.5157 123.1180 55.7994 32.5118 175.7096 30 L 4.4943 8.2992 127.8007 53.5810 43.0972 176.0771 31 K 4.7672 8.3682 124.2479 53.8191 35.5597 175.0665 32 K 3.8405 9.0495 128.5376 58.7880 32.5618 177.1714 33 G 3.9556 9.6056 119.3867 45.8818 0.0000 172.7457 34 D 4.7773 7.6453 116.9723 52.3617 45.2945 176.3649 35 I 4.3711 8.4190 124.2739 60.9269 38.7654 175.5338 36 I 4.4457 8.0788 125.5364 59.3824 40.7611 174.5152 37 D 4.3231 8.1937 128.4891 53.8362 41.6394 176.0074 38 I 4.4471 8.1465 126.0952 61.6275 37.8106 176.8761 39 I 4.2411 9.0677 128.6231 63.2217 38.0981 176.2530 40 S 4.6565 7.8392 114.7526 56.6643 66.3222 173.3990 41 K 4.3803 8.3650 124.2884 53.8910 33.8351 174.4592 42 P 4.6115 0.0000 0.0000 61.3366 32.2044 175.0613 43 P 4.3782 0.0000 0.0000 65.4727 31.4307 176.6319 44 M 4.5430 8.3317 117.8811 55.0570 34.7792 174.8732 45 G 3.9297 8.3684 111.5543 44.2565 0.0000 171.9209 46 T 3.9926 7.8601 116.9287 63.1095 69.3079 173.9434 47 W 5.0732 7.5747 121.4030 55.5813 32.3126 174.9206 48 M 5.3095 8.0982 120.7808 53.0767 34.3298 174.7090 49 G 4.6301 9.0230 111.7458 44.7225 0.0000 170.4333 50 L 5.1296 8.8973 123.7674 53.3798 44.2516 175.4107 51 L 4.3426 8.9494 128.0048 54.0588 45.5432 175.3658 52 N 4.0451 9.2248 125.0970 54.9212 35.6635 173.6489 53 N 4.2131 8.3184 107.4551 53.6524 36.7447 175.0585 54 K 4.3925 7.8013 119.4558 55.0813 34.7784 174.5441 55 V 5.3197 7.9512 126.5290 59.2640 32.6908 174.7509 56 G 4.4345 8.9077 115.8299 44.4690 0.0000 170.9959 57 T 5.4728 8.9564 112.6751 58.9437 71.9524 173.7614 58 F 5.0071 8.1787 117.4087 55.2249 41.2518 173.6696 59 K 3.7553 8.4767 123.1595 55.4376 33.1859 177.6306 60 F 4.2462 6.6365 118.4518 59.3960 37.7921 177.7847 61 I 3.7834 6.5653 112.2317 63.5950 37.5237 176.9976 62 Y 4.5785 7.2255 117.4962 58.5705 37.8323 174.9375 63 V 5.1216 7.4264 111.5234 59.5232 35.5438 175.1848 64 D 4.8863 8.7058 120.9608 52.2594 42.8441 176.4283 65 V 3.6881 8.7415 124.1353 63.5974 32.1478 175.4438 66 L 4.5632 8.1537 129.4984 53.6134 42.1345 176.9439 67 S 4.5878 8.5015 120.0844 56.3654 63.5256 174.1233 68 S 4.0789 8.7659 121.9871 62.3211 62.7084 174.7179 69 G 4.1166 8.0866 103.7091 43.0058 0.0000 172.3848 70 P 4.3239 0.0000 0.0000 65.2812 31.5695 177.0659 71 S 4.7260 7.6393 112.3002 56.7089 64.7217 172.7908 72 S 4.5759 8.1278 116.3193 57.9968 66.7648 174.9750 73 G 3.7368 8.4571 109.5102 45.8727 0.0000 173.1457 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 G 8.35 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 2 S 8.41 4.12 0.00 3.96 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 3 S 9.21 4.27 0.00 3.88 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 4 G 7.66 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 0.00 0.00 0.00 0.00 5 S 7.42 4.60 0.00 3.81 3.71 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 6 S 8.51 4.65 0.00 3.91 3.86 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 7 G 7.61 3.81 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 0.00 0.00 0.00 8 F 7.67 5.09 0.00 3.03 2.96 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 9 C 8.77 4.07 0.00 2.97 2.90 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 10 G 7.44 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 R 8.49 4.91 0.00 1.84 1.71 0.00 3.13 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 12 A 8.43 4.98 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.62 4.61 0.00 1.93 1.83 0.00 3.20 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 14 V 8.17 4.39 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 0.96 0.00 0.00 0.89 0.00 0.00 15 H 8.74 4.73 0.00 3.20 3.48 0.00 5.74 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.68 4.66 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 1.21 0.00 0.00 17 D 8.66 5.01 0.00 2.53 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 18 F 9.26 4.74 0.00 2.63 2.51 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 0.00 0.00 0.00 19 T 6.77 4.82 3.97 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 1.12 0.00 0.00 20 P 0.00 4.75 0.00 2.28 2.32 0.00 3.83 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.27 0.00 21 S 8.35 4.34 0.00 4.00 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 22 P 0.00 4.42 0.00 1.58 1.88 0.00 3.54 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.63 0.00 23 Y 7.51 4.61 0.00 3.00 2.97 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 24 D 7.75 4.72 0.00 2.69 2.70 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 0.00 0.00 0.00 25 T 8.35 4.32 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 1.25 0.00 0.00 26 D 8.18 4.52 0.00 2.78 2.73 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 27 S 7.92 4.48 0.00 3.84 3.86 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 L 7.87 4.38 0.00 1.49 1.57 1.03 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.52 4.32 0.00 1.78 1.75 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.48 7.81 30 L 8.30 4.49 0.00 1.65 1.52 0.83 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.37 4.77 0.00 1.68 1.91 0.00 1.80 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.32 7.81 32 K 9.05 3.84 0.00 2.16 1.78 0.00 1.86 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.47 1.45 7.81 33 G 9.61 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 0.00 0.00 0.00 34 D 7.65 4.78 0.00 2.68 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.42 4.37 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 1.32 0.73 0.85 0.00 0.00 36 I 8.08 4.45 1.51 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.78 0.44 0.00 0.00 37 D 8.19 4.32 0.00 1.89 1.54 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 38 I 8.15 4.45 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.76 0.86 0.00 0.00 39 I 9.07 4.24 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.73 1.00 0.00 0.00 40 S 7.84 4.66 0.00 3.86 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 41 K 8.37 4.38 0.00 1.33 1.08 0.00 1.01 0.00 0.00 1.11 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.88 7.81 42 P 0.00 4.61 0.00 2.24 2.12 0.00 4.02 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 2.15 2.04 0.00 43 P 0.00 4.38 0.00 2.22 2.24 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 44 M 8.33 4.54 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 45 G 8.37 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 46 T 7.86 3.99 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 1.04 0.00 0.00 47 W 7.57 5.07 0.00 2.57 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 48 M 8.10 5.31 0.00 2.16 1.96 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 2.64 2.42 0.00 49 G 9.02 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 0.00 0.00 0.00 0.00 50 L 8.90 5.13 0.00 1.73 1.39 0.96 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.95 4.34 0.00 1.58 1.37 0.88 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 52 N 9.22 4.05 0.00 2.89 2.86 0.00 0.00 7.16 7.97 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 53 N 8.32 4.21 0.00 2.87 2.91 0.00 0.00 6.89 7.62 0.00 0.00 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 K 7.80 4.39 0.00 1.71 1.80 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.39 7.81 55 V 7.95 5.32 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 0.66 0.00 0.00 1.05 0.00 0.00 56 G 8.91 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.96 5.47 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 1.25 0.00 0.00 58 F 8.18 5.01 0.00 3.21 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 59 K 8.48 3.76 0.00 1.40 0.74 0.00 1.01 0.00 0.00 1.44 0.00 0.00 2.72 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.53 0.21 7.81 60 F 6.64 4.25 0.00 3.00 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 0.00 0.00 0.00 0.00 61 I 6.57 3.78 1.65 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 -0.36 0.60 0.00 0.00 62 Y 7.23 4.58 0.00 3.30 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 63 V 7.43 5.12 2.39 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 0.82 0.00 0.00 1.37 0.00 0.00 64 D 8.71 4.89 0.00 2.60 2.66 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 65 V 8.74 3.69 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 0.81 0.00 0.00 1.33 0.00 0.00 66 L 8.15 4.56 0.00 1.49 1.65 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.50 4.59 0.00 3.96 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 68 S 8.77 4.08 0.00 3.88 4.01 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 69 G 8.09 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 70 P 0.00 4.32 0.00 2.19 2.19 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 71 S 7.64 4.73 0.00 3.99 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 72 S 8.13 4.58 0.00 3.84 3.77 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 0.00 0.00 0.00 0.00 73 G 8.46 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00