NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 F 4.6312 8.3249 119.0063 56.5238 39.7668 173.8193 2 V 4.3550 7.9350 113.6610 59.5575 34.2277 174.3145 3 N 4.6199 9.2068 120.9523 53.0242 40.3258 174.2697 4 Q 4.5153 8.1097 118.8592 54.6186 31.1785 174.8049 5 H 4.6169 8.3867 115.8341 54.9277 29.7697 175.3180 6 L 4.7337 8.3833 122.4563 53.2177 44.3560 175.7918 7 C 4.9482 8.1841 120.6268 58.6623 33.1386 174.9890 8 G 3.7819 8.4422 110.8677 46.5646 0.0000 177.4457 9 S 4.0415 8.5075 117.4708 61.1316 63.2886 176.3030 10 H 4.1788 7.9647 118.3801 58.4369 28.2851 177.4585 11 L 3.8796 7.5304 121.8550 58.2613 41.9749 179.3312 12 V 3.3485 7.4084 111.8998 63.9076 31.3818 178.4238 13 E 3.9300 8.2647 118.6249 59.3434 29.2050 179.1774 14 A 3.9808 7.9632 120.8078 54.9709 18.3013 179.7202 15 L 3.5499 7.6710 117.5604 57.8004 41.4189 178.9557 16 Y 4.1783 7.8426 119.7152 60.6267 38.4938 178.0403 17 L 3.7827 7.7724 119.9045 58.2703 42.3390 178.8763 18 V 3.6746 7.7417 116.9572 65.4418 31.7250 176.9368 19 C 4.4140 8.5116 116.2521 59.0644 29.1783 175.8799 20 G 3.5236 8.6952 108.9931 46.0099 0.0000 176.6341 21 E 3.9398 8.9929 123.0817 59.0855 29.2515 178.3667 22 R 3.8791 7.8748 117.1975 57.1034 30.2069 177.8773 23 G 4.0118 9.5516 104.5067 45.4198 0.0000 171.7530 24 F 4.8904 7.5639 112.2773 55.9255 40.1827 173.1167 25 F 4.9707 8.2883 115.5950 55.0306 39.9935 174.1295 26 Y 4.8005 8.9522 124.7753 56.3155 39.7099 174.9799 27 T 4.3949 7.8884 118.2140 58.3634 68.8053 172.6003 28 P 4.1475 0.0000 0.0000 65.7678 31.6900 178.6124 29 K 4.1173 7.7703 116.6994 58.7773 33.1739 176.9003 30 T 4.0538 7.5437 120.8671 63.8943 68.2554 173.9950 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 F 8.32 4.63 0.00 2.32 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 0.00 0.00 0.00 0.00 2 V 7.93 4.36 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 0.85 0.00 0.00 0.92 0.00 0.00 3 N 9.21 4.62 0.00 2.67 2.70 0.00 0.00 6.85 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 4 Q 8.11 4.52 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 5 H 8.39 4.62 0.00 3.14 3.23 0.00 5.64 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 6 L 8.38 4.73 0.00 1.57 1.54 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.18 4.95 0.00 2.97 2.80 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 8 G 8.44 3.78 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 0.00 0.00 0.00 9 S 8.51 4.04 0.00 3.89 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.96 4.18 0.00 3.36 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.53 3.88 0.00 1.76 1.73 0.88 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.41 3.35 2.05 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 0.04 0.00 0.00 0.79 0.00 0.00 13 E 8.26 3.93 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 14 A 7.96 3.98 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.67 3.55 0.00 0.72 0.13 0.65 0.27 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 16 Y 7.84 4.18 0.00 3.20 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 17 L 7.77 3.78 0.00 1.71 1.81 0.93 0.79 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 18 V 7.74 3.67 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 0.87 0.00 0.00 19 C 8.51 4.41 0.00 3.21 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.70 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.99 3.94 0.00 1.96 2.05 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 2.31 2.31 0.00 22 R 7.87 3.88 0.00 1.95 2.04 0.00 3.22 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 23 G 9.55 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 0.00 0.00 0.00 24 F 7.56 4.89 0.00 2.94 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 25 F 8.29 4.97 0.00 3.23 3.08 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 26 Y 8.95 4.80 0.00 3.09 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 27 T 7.89 4.39 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 1.31 0.00 0.00 28 P 0.00 4.15 0.00 2.09 1.95 0.00 3.38 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.60 0.00 29 K 7.77 4.12 0.00 1.87 1.94 0.00 1.56 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.43 7.81 30 T 7.54 4.05 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 1.24 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.