NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -6 S 4.5238 8.1776 115.4341 57.7102 65.2124 175.1053 -5 S 4.1040 7.9922 117.2731 60.9528 62.5331 174.6710 -4 H 4.1156 9.1014 121.5532 59.1083 28.8953 178.3926 -3 T 3.8520 7.4050 116.5109 66.6729 68.2573 176.1091 -2 L 3.9169 7.8757 121.2685 58.1832 42.2554 178.5598 -1 K 3.8565 8.5149 119.7568 59.8914 31.9720 178.7897 0 T 3.8479 8.4463 115.9670 66.6789 68.3962 176.4488 1 A 4.0557 8.3487 123.0258 55.4308 18.4502 179.4688 2 N 4.3726 8.5227 115.1555 56.4717 38.6032 177.9749 3 S 4.1189 8.1444 116.5644 61.5427 62.9884 175.6150 4 Y 4.0796 8.1878 122.4935 61.4135 38.3662 178.4070 5 T 3.8104 8.4002 116.5762 66.9802 68.4986 176.2341 6 D 4.2917 7.9150 120.3147 57.2456 40.7470 179.0992 7 V 3.5006 7.6478 118.9250 65.9796 31.5567 177.8931 8 T 3.6224 7.5135 109.5514 64.9005 68.3063 175.9351 9 V 3.4936 7.8119 122.2288 65.4528 31.5235 177.6021 10 S 4.0473 8.1102 112.4938 61.7943 62.2025 175.9735 11 N 4.3010 8.3201 119.0563 56.2129 38.2468 177.3104 12 S 4.0029 8.1634 114.4565 61.7061 62.5120 175.9798 13 T 3.8374 7.9493 118.4697 66.9356 68.2940 176.4763 14 K 3.9316 7.9155 119.6849 59.3259 32.0998 179.2325 15 K 3.8794 8.5846 119.9887 59.6246 32.1182 178.7124 16 A 4.0238 8.6075 121.2557 55.1052 18.2246 179.7470 17 I 3.7350 7.7945 118.5478 64.2136 37.2135 178.5662 18 R 3.8717 8.0501 119.5624 59.6351 29.9408 178.5275 19 E 4.0326 8.2702 118.3231 59.4213 29.3505 179.6034 20 S 4.1473 8.2017 115.2221 61.8040 62.8541 176.5651 21 N 4.4011 8.4195 119.2168 56.2785 38.2257 177.5362 22 Q 4.0045 8.2521 119.6673 59.0256 28.7205 178.1811 23 Y 4.0850 8.2556 120.6459 61.0386 38.6312 178.2063 24 T 3.8776 8.0704 115.5499 66.7843 68.6434 175.9699 25 D 4.4758 8.1502 119.7926 57.5419 40.9282 177.9946 26 H 4.3409 7.9303 117.3842 59.2124 29.9234 177.7501 27 K 3.6547 7.3535 114.5914 57.7539 31.6300 177.1785 23 H 4.2650 8.5556 118.5459 58.1386 29.8312 176.4063 24 Q 3.8676 8.2404 121.7499 60.6843 28.2434 177.2699 25 L 4.1758 7.9702 121.1926 58.4419 42.2282 179.2946 26 E 3.9609 7.9303 119.3842 60.8124 30.8234 180.2501 27 N 4.0747 7.4635 112.8914 54.6539 37.4300 175.7785 34 R 4.0321 7.8256 119.4287 59.1017 30.2978 178.0072 35 L 3.9685 7.8160 119.8067 58.1465 42.0752 178.4612 36 D 4.3550 8.0446 118.4068 57.2300 40.7925 178.6344 37 K 3.8978 8.0027 118.4465 59.5559 32.0563 178.9802 38 L 3.9724 7.7411 120.0824 57.9586 41.9711 178.6447 39 E 3.8885 8.3413 119.4783 58.9522 29.6246 178.6064 40 K 3.8698 8.2567 119.9396 59.4640 32.3060 178.4836 41 R 3.8310 7.8921 118.8354 59.6130 29.9236 178.1885 42 L 3.9657 8.0795 118.7145 57.8565 41.5417 179.4534 43 L 3.9550 7.9030 118.6728 57.8736 41.6050 179.5518 44 K 3.9039 7.9508 119.2189 59.6374 32.1390 178.7818 45 L 4.5910 7.8544 120.2993 56.7574 41.5322 179.4998 46 L 3.9717 8.2658 119.4831 57.6530 41.6107 179.2114 47 A 4.0254 8.2999 121.3192 55.0409 18.4239 179.9168 48 S 4.0680 8.5264 113.4824 61.7348 63.2503 176.9527 49 S 4.1500 8.1660 118.1061 60.6789 62.7438 176.3257 50 A 3.9501 8.1526 124.3847 54.7962 18.2065 179.2981 51 A 3.9135 8.0164 119.2463 55.5393 18.6215 179.6935 52 L 3.9444 8.1177 117.5520 58.0690 41.4147 179.5405 53 N 4.3178 7.8966 116.3212 56.7303 39.0498 176.9162 54 S 4.2643 7.7815 114.1312 61.1514 63.1156 176.0889 55 L 4.1601 7.6865 123.8955 58.2741 41.5692 178.3440 *56 F 4.4310 7.7025 122.6590 59.0258 38.2332 177.1365 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 -6 S 8.18 4.52 0.00 4.04 4.20 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 -5 S 7.99 4.10 0.00 4.10 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 -4 H 9.10 4.12 0.00 3.25 3.41 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 T 7.41 3.85 4.39 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 0.00 0.00 0.00 1.21 0.00 0.00 -2 L 7.88 3.92 0.00 1.76 1.86 0.99 0.71 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 -1 K 8.51 3.86 0.00 1.93 1.91 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.49 7.81 0 T 8.45 3.85 4.39 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 0.00 0.00 0.00 1.23 0.00 0.00 1 A 8.35 4.06 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 2 N 8.52 4.37 0.00 2.82 2.89 0.00 0.00 7.04 8.07 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 3 S 8.14 4.12 0.00 4.03 3.94 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 4 Y 8.19 4.08 0.00 3.15 3.22 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 0.00 5 T 8.40 3.81 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 1.21 0.00 0.00 6 D 7.91 4.29 0.00 2.85 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 0.00 7 V 7.65 3.50 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 1.04 0.00 0.00 0.90 0.00 0.00 8 T 7.51 3.62 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 0.27 0.00 0.00 9 V 7.81 3.49 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 1.03 0.00 0.00 0.97 0.00 0.00 10 S 8.11 4.05 0.00 4.00 3.94 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 11 N 8.32 4.30 0.00 2.84 2.82 0.00 0.00 6.74 8.42 0.00 0.00 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 S 8.16 4.00 0.00 3.86 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 13 T 7.95 3.84 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 1.20 0.00 0.00 14 K 7.92 3.93 0.00 1.95 1.85 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.44 7.81 15 K 8.58 3.88 0.00 1.75 1.96 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.46 7.81 16 A 8.61 4.02 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.79 3.74 1.87 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 1.40 0.63 0.91 0.00 0.00 18 R 8.05 3.87 0.00 2.04 2.06 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 19 E 8.27 4.03 0.00 2.13 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 2.34 2.51 0.00 20 S 8.20 4.15 0.00 4.08 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 21 N 8.42 4.40 0.00 3.04 2.88 0.00 0.00 7.08 7.73 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 22 Q 8.25 4.00 0.00 2.39 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 23 Y 8.26 4.08 0.00 3.14 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 24 T 8.07 3.88 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 25 D 8.15 4.48 0.00 2.78 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 26 H 7.93 4.34 0.00 3.07 3.53 0.00 5.96 0.00 0.00 0.00 0.00 7.06 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 3.65 0.00 1.72 1.67 0.00 1.65 0.00 0.00 1.38 0.00 0.00 2.62 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.86 1.11 7.81 23 H 8.56 4.26 0.00 3.40 3.33 0.00 5.08 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.24 3.87 0.00 2.15 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.28 0.00 25 L 7.97 4.18 0.00 1.68 1.67 0.92 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 26 E 7.93 3.96 0.00 1.84 2.33 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 2.32 2.40 0.00 27 N 7.46 4.07 0.00 2.71 2.67 0.00 0.00 7.02 8.12 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 34 R 7.83 4.03 0.00 1.89 2.05 0.00 3.22 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 35 L 7.82 3.97 0.00 1.96 1.82 0.91 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.04 4.36 0.00 2.84 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 0.00 37 K 8.00 3.90 0.00 1.99 1.85 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.69 7.81 38 L 7.74 3.97 0.00 1.73 1.82 0.92 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.34 3.89 0.00 2.08 2.16 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 2.30 2.31 0.00 40 K 8.26 3.87 0.00 1.84 2.01 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.45 7.81 41 R 7.89 3.83 0.00 2.04 2.02 0.00 3.16 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 42 L 8.08 3.97 0.00 1.84 1.71 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.90 3.96 0.00 1.84 1.72 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.95 3.90 0.00 1.84 1.96 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.48 7.81 45 L 7.85 4.59 0.00 1.89 1.69 0.96 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.27 3.97 0.00 1.91 1.71 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.30 4.03 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 48 S 8.53 4.07 0.00 4.02 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.17 4.15 0.00 4.09 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 0.00 50 A 8.15 3.95 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.02 3.91 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 52 L 8.12 3.94 0.00 1.94 1.75 0.92 0.84 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 53 N 7.90 4.32 0.00 2.92 2.89 0.00 0.00 7.26 7.76 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 54 S 7.78 4.26 0.00 4.10 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.69 4.16 0.00 1.86 1.78 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 *56 F 7.70 4.43 0.00 2.40 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.