NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 R 4.3199 8.2544 119.7066 56.0360 30.9196 174.1659 -1 K 4.4876 8.0036 123.4559 54.2928 36.4609 175.1348 0 L 3.5085 9.1847 123.8736 55.6207 41.9465 177.7719 1 C 3.7055 8.4891 118.6753 61.0810 40.2830 176.0921 2 S 3.9634 8.3226 114.8130 59.9252 62.7564 173.6881 3 L 4.3434 8.7445 124.6081 54.1341 42.7476 175.9470 4 D 4.3385 9.5231 128.3823 55.7307 39.7064 172.9396 5 N 4.3744 8.1351 110.4984 53.4363 37.7192 174.1681 6 G 3.9239 9.1060 101.3502 45.6632 0.0000 174.4933 7 D 4.4891 8.2863 115.5357 54.5085 40.3541 173.2863 8 C 4.7298 8.0965 114.9559 56.5371 38.3507 173.7875 9 D 4.4986 8.8784 123.4875 57.2032 41.9132 176.9150 10 Q 4.5581 7.1673 114.0951 55.0353 31.2740 179.1920 11 F 4.5311 7.3055 128.1345 59.3696 39.7786 172.0855 12 C 5.5741 9.0078 123.1582 54.9964 41.8935 172.6180 13 H 5.1238 8.9787 120.9761 53.8848 31.8251 172.1410 14 E 4.6069 8.9122 121.9012 55.5839 30.3277 176.0150 15 E 4.3212 8.6002 122.7851 55.0688 31.1072 173.1555 16 Q 3.2467 8.1430 127.9117 58.2823 26.2691 173.2861 17 N 4.0307 8.0918 119.2507 53.2407 36.8675 174.1172 18 S 4.6108 7.7875 114.1117 56.4564 65.8363 173.0700 19 V 4.1944 8.1418 125.8533 62.9381 32.7674 175.8102 20 V 4.2633 8.1133 125.8826 62.1444 34.3743 172.9762 21 C 5.4221 8.8108 125.8349 56.5366 40.1655 173.0963 22 S 4.8840 8.7698 114.5226 57.7316 66.3454 172.3427 23 C 5.1329 8.6456 117.1650 54.6465 38.4963 173.9326 24 A 4.5982 8.1154 124.4611 51.7673 18.7209 177.4850 25 R 4.1906 8.5780 118.7128 57.9552 30.4514 177.2648 26 G 4.0763 9.1141 109.5114 45.3458 0.0000 172.2708 27 Y 5.3271 7.9504 116.2718 56.2356 41.8743 174.9827 28 T 4.7931 8.7261 110.8785 59.4588 72.3237 173.0546 29 L 4.4733 8.5901 125.7565 55.2832 43.0217 176.6061 30 A 4.3153 8.9074 128.5013 51.2344 19.8341 177.7295 31 D 4.2519 8.8625 118.0572 57.7850 41.2622 177.1819 32 N 4.5193 8.3105 113.1030 52.6800 37.1815 175.1269 33 G 4.2751 8.0845 106.0404 46.8092 0.0000 174.2124 34 K 4.4741 8.0235 116.3826 57.6273 35.1509 177.0683 35 A 5.0468 8.3949 120.7999 51.1142 20.3029 175.2924 36 C 5.3384 9.0667 116.3635 55.3925 44.0393 174.0468 37 I 4.5850 8.6196 125.2713 58.8160 38.7805 173.7318 38 P 3.9349 0.0000 0.0000 63.4242 31.3322 176.6016 39 T 4.0573 8.8071 121.6299 65.8383 69.1698 174.6482 40 G 4.1649 7.4570 106.7758 42.7462 0.0000 169.9064 41 P 4.0574 0.0000 0.0000 63.6108 32.3417 175.4086 42 Y 3.6885 7.7226 115.4488 58.6692 34.5754 168.8840 43 P 4.3696 0.0000 0.0000 61.9509 32.8640 176.4180 44 C 4.1973 8.5594 115.6379 60.1368 29.7321 173.9517 45 G 3.9720 8.9891 108.7090 45.8353 0.0000 173.0910 46 K 4.6516 7.4368 118.0074 54.0991 34.6785 176.1539 47 Q 4.2915 8.6253 123.0667 55.9772 29.3754 176.1092 48 T 4.4415 8.3043 112.9239 61.9237 69.4781 174.6649 49 L 4.1721 7.9860 127.1823 56.3627 41.6017 177.3154 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 -2 R 8.25 4.32 0.00 1.82 2.08 0.00 3.12 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 -1 K 8.00 4.49 0.00 1.85 1.59 0.00 1.75 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.58 7.81 0 L 9.18 3.51 0.00 1.99 1.37 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 1 C 8.49 3.71 0.00 3.24 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 2 S 8.32 3.96 0.00 4.13 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 3 L 8.74 4.34 0.00 1.67 1.69 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 4 D 9.52 4.34 0.00 2.86 2.65 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 5 N 8.14 4.37 0.00 2.98 2.79 0.00 0.00 7.58 7.91 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 6 G 9.11 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 0.00 0.00 0.00 7 D 8.29 4.49 0.00 2.81 2.78 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 0.00 0.00 0.00 8 C 8.10 4.73 0.00 3.05 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 9 D 8.88 4.50 0.00 2.82 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 10 Q 7.17 4.56 0.00 1.49 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.87 0.00 0.00 0.00 0.00 0.00 1.85 2.01 0.00 11 F 7.31 4.53 0.00 3.22 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 12 C 9.01 5.57 0.00 2.96 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 13 H 8.98 5.12 0.00 3.20 3.30 0.00 5.31 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.91 4.61 0.00 1.88 1.94 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 2.29 2.31 0.00 15 E 8.60 4.32 0.00 2.01 1.94 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 2.19 2.23 0.00 16 Q 8.14 3.25 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.39 6.35 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 17 N 8.09 4.03 0.00 2.83 3.08 0.00 0.00 6.90 7.57 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 18 S 7.79 4.61 0.00 3.84 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 19 V 8.14 4.19 2.07 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 0.78 0.00 0.00 0.92 0.00 0.00 20 V 8.11 4.26 1.94 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 0.79 0.00 0.00 0.88 0.00 0.00 21 C 8.81 5.42 0.00 3.01 2.99 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 22 S 8.77 4.88 0.00 4.05 4.05 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 C 8.65 5.13 0.00 2.88 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 24 A 8.12 4.60 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.58 4.19 0.00 1.90 1.98 0.00 3.23 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 26 G 9.11 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.95 5.33 0.00 2.88 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 28 T 8.73 4.79 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 1.23 0.00 0.00 29 L 8.59 4.47 0.00 1.70 1.64 1.02 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.91 4.32 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.86 4.25 0.00 2.65 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.31 4.52 0.00 2.99 3.03 0.00 0.00 6.17 7.51 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 33 G 8.08 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.02 4.47 0.00 1.93 1.93 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.66 7.81 35 A 8.39 5.05 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 36 C 9.07 5.34 0.00 2.66 2.92 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 37 I 8.62 4.58 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.94 0.91 0.00 0.00 38 P 0.00 3.93 0.00 1.76 1.63 0.00 3.64 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 39 T 8.81 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 1.18 0.00 0.00 40 G 7.46 4.16 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 0.00 0.00 0.00 41 P 0.00 4.06 0.00 1.85 1.86 0.00 3.88 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 1.99 1.94 0.00 42 Y 7.72 3.69 0.00 3.18 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 43 P 0.00 4.37 0.00 1.64 1.78 0.00 3.66 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.77 0.00 44 C 8.56 4.20 0.00 3.19 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.99 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 0.00 0.00 0.00 0.00 46 K 7.44 4.65 0.00 1.61 1.75 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.58 7.81 47 Q 8.63 4.29 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.77 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 48 T 8.30 4.44 4.41 0.00 0.00 0.00 0.00 0.00 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 49 L 7.99 4.17 0.00 1.67 1.64 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00