NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 89 A 4.3317 8.1227 123.5779 52.0685 20.1266 177.5780 90 T 3.8411 8.2655 114.0672 64.0704 67.2260 175.0311 91 C 4.0781 8.8157 121.8717 62.3852 31.9005 174.2957 92 N 4.2488 8.1299 116.3014 57.0305 38.2456 176.5453 93 H 4.3364 7.8046 115.5599 59.1867 29.0422 177.7877 94 T 4.1058 7.9939 117.6670 66.3230 68.0200 177.8052 95 V 3.7572 7.6718 117.2307 63.1791 31.8394 176.7278 *97 A 4.4253 7.9640 120.8954 51.8430 20.3316 181.2315 98 L 3.9120 8.1479 115.2414 55.0611 41.4598 179.2591 *100 A 4.3217 8.0799 123.5126 52.2582 20.5410 179.7776 101 S 4.3194 8.0438 111.5124 60.6643 62.4492 176.2354 102 L 4.0571 7.9928 123.5460 57.6932 41.8582 178.4246 103 D 4.3827 8.0665 118.3859 57.8392 40.7662 177.5088 104 A 3.9570 8.1233 120.8847 55.2964 18.0613 178.6003 105 E 3.9241 8.5176 119.1311 58.0109 30.2112 179.3726 106 K 4.1606 7.5784 116.8979 59.8281 32.4557 178.8795 107 A 4.0492 8.6413 121.2289 54.6753 18.0756 179.4975 108 Q 4.1096 8.4819 116.8044 58.8643 28.6024 178.9243 109 G 3.5877 7.8360 107.6925 47.8960 0.0000 175.4435 110 Q 4.0346 8.2396 121.5248 58.5232 28.7531 179.6633 111 K 4.0208 7.8643 119.3019 59.1855 32.1896 179.4519 112 K 3.9534 7.7810 119.8715 59.4892 31.7562 179.1186 113 V 3.6839 8.2768 118.7319 65.2815 31.5027 177.4449 114 E 4.0694 8.0181 118.7327 58.7101 29.6536 177.9854 115 E 3.9899 8.1350 118.6959 59.3984 29.5139 179.3743 116 L 3.9838 7.9654 118.8719 57.9755 41.5412 179.5104 117 E 4.1871 7.7958 116.4420 58.6317 29.6678 179.5461 118 G 3.6999 7.8416 105.9214 47.8697 0.0000 175.8444 119 E 4.1047 8.1093 120.0078 58.3769 29.1349 178.9736 120 I 4.0622 7.6407 120.3387 63.7246 37.4338 177.8697 121 T 4.0600 7.7358 110.0926 64.0366 68.3463 176.0555 122 T 4.1541 7.3844 108.9757 62.9238 68.3065 175.4395 123 L 4.2353 8.0121 121.4268 56.6689 41.5125 177.2757 124 N 4.6981 7.9387 117.5670 54.7167 39.5411 176.3053 *125 H 4.3710 8.1796 116.4224 56.7681 28.1764 181.6474 126 K 4.3977 8.0617 120.9893 55.7395 31.8317 182.9752 127 L 4.0842 8.0038 125.8008 55.7223 40.7678 177.2299 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 89 A 8.12 4.33 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 90 T 8.27 3.84 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 91 C 8.82 4.08 0.00 3.03 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 92 N 8.13 4.25 0.00 2.85 2.80 0.00 0.00 6.91 8.16 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 93 H 7.80 4.34 0.00 3.14 3.36 0.00 5.85 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 T 7.99 4.11 4.37 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 1.22 0.00 0.00 95 V 7.67 3.76 2.20 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 0.80 0.00 0.00 0.93 0.00 0.00 *97 A 7.96 4.43 1.41 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 0.00 0.00 0.00 98 L 8.15 3.91 0.00 1.83 1.71 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 *100 A 8.08 4.32 1.33 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 0.00 101 S 8.04 4.32 0.00 3.90 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 0.00 102 L 7.99 4.06 0.00 1.90 1.65 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.07 4.38 0.00 2.94 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 0.00 104 A 8.12 3.96 1.33 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 0.00 105 E 8.52 3.92 0.00 1.96 2.11 0.00 0.00 0.00 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 2.41 0.00 106 K 7.58 4.16 0.00 2.05 1.82 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.59 7.81 107 A 8.64 4.05 1.33 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 0.00 108 Q 8.48 4.11 0.00 2.33 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 109 G 7.84 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 8.24 4.03 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 111 K 7.86 4.02 0.00 1.80 1.85 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.53 7.81 112 K 7.78 3.95 0.00 1.77 2.02 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.59 7.81 113 V 8.28 3.68 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.02 0.00 0.00 114 E 8.02 4.07 0.00 2.38 1.91 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 2.28 2.34 0.00 115 E 8.13 3.99 0.00 2.22 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 0.00 2.33 2.56 0.00 116 L 7.97 3.98 0.00 1.86 1.71 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 117 E 7.80 4.19 0.00 2.06 2.02 0.00 0.00 0.00 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 2.32 0.00 118 G 7.84 3.70 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 0.00 0.00 0.00 119 E 8.11 4.10 0.00 2.08 2.04 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 2.35 2.53 0.00 120 I 7.64 4.06 2.04 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.17 0.95 0.00 0.00 121 T 7.74 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 1.29 0.00 0.00 122 T 7.38 4.15 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 1.22 0.00 0.00 123 L 8.01 4.24 0.00 1.65 1.76 0.92 0.98 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 0.00 124 N 7.94 4.70 0.00 2.70 2.86 0.00 0.00 6.88 8.16 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 *125 H 8.18 4.37 0.00 2.94 2.97 0.00 7.19 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 K 8.06 4.40 0.00 1.77 1.70 0.00 1.93 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.33 0.99 7.81 127 L 8.00 4.08 0.00 1.78 1.50 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.