NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5795 8.3649 119.5528 52.9686 40.9516 175.7243 4 H 4.1060 8.8750 116.7551 56.6498 29.5069 169.0817 5 V 4.4680 8.6359 122.1787 61.3389 35.2694 173.5342 6 Y 5.2349 8.7063 123.5676 56.0618 41.6076 174.5922 7 K 4.4672 8.1852 123.1145 54.5630 35.2727 174.8370 8 I 4.8576 8.1701 126.1838 59.7125 39.3934 175.2130 9 V 4.5296 8.6289 120.4982 59.4891 34.8921 174.3709 10 E 5.0362 8.7016 124.1204 54.6961 31.0988 174.9937 11 L 4.9388 8.9607 126.1611 53.1121 46.4179 175.2875 12 T 4.9536 8.5626 116.0794 60.4035 69.5214 173.5312 13 G 4.5384 8.8271 116.0714 44.5390 0.0000 172.2326 14 S 5.7857 8.0740 114.8023 55.5773 65.9089 173.0736 15 S 4.7885 8.3024 116.3771 57.1058 65.1680 174.0200 16 P 4.8171 0.0000 0.0000 64.1716 31.7190 176.4175 17 N 4.7103 9.1700 116.8664 52.6286 40.1398 175.3165 18 G 2.8164 7.0682 103.1005 44.9076 0.0000 172.1172 19 I 3.5722 7.1066 119.2569 64.6403 37.2129 178.1937 20 E 3.9559 7.9451 118.8153 59.3459 29.1905 179.2996 21 E 3.8920 7.9735 117.9914 59.2213 29.7823 178.7564 22 A 4.1471 7.9254 120.8148 55.5753 18.3968 180.1955 23 V 3.5199 7.7636 110.7067 64.3249 31.5799 178.5371 24 N 4.1963 8.0929 116.3421 56.2587 38.2836 176.9580 25 N 4.2134 8.3004 117.6762 56.3988 38.7706 177.1474 26 A 3.9279 7.8891 121.3580 55.3965 18.4857 179.6352 27 I 3.6220 7.8628 118.0431 64.0611 37.1299 178.1401 28 A 3.9210 8.4407 122.0348 55.6638 17.8978 179.9922 29 R 3.8705 8.2715 115.8438 59.1638 30.0027 179.2970 30 A 4.2077 7.9824 120.8689 54.9057 18.1639 179.9238 31 G 3.4325 7.8130 103.4417 47.6630 0.0000 175.5313 32 E 4.0595 7.7799 119.8440 59.2320 29.5678 178.3936 33 T 4.2425 7.1433 111.1349 61.9877 68.4222 174.2627 34 L 4.4366 7.9041 120.0979 52.7418 43.8683 175.4282 35 R 4.4642 7.3057 114.5157 56.0236 32.6803 174.1860 36 H 4.0923 8.6513 113.8953 56.9442 25.3599 175.4314 37 L 4.5178 7.9741 118.7820 55.3578 42.3278 176.6314 38 R 4.8400 9.2356 122.7297 57.1195 31.7533 176.3412 39 W 5.5748 7.8404 114.0252 54.9523 32.1040 172.8675 40 F 5.3734 8.5153 114.4319 55.3491 41.2074 173.4256 41 E 4.6377 9.4789 119.8330 54.3831 33.0951 174.3691 42 V 4.3977 8.7183 127.3977 63.0450 31.5798 175.8511 43 V 4.1372 8.7104 128.2730 62.8079 32.7753 175.9372 44 D 4.5053 7.3385 117.6953 53.9178 44.3360 174.7375 45 T 5.0917 8.8711 122.0056 62.0683 71.3345 173.2935 46 R 4.7516 9.2368 124.6940 54.9083 35.1566 173.8391 47 G 4.0905 8.1369 104.7157 44.2209 0.0000 172.2442 48 H 4.9481 8.4967 120.4434 54.4332 32.1035 173.4941 49 I 4.8492 7.8595 125.2816 59.4332 39.2646 174.6263 50 E 4.5942 9.1813 127.8726 55.1367 33.1630 175.1661 51 G 3.7172 8.5269 113.8689 47.3292 0.0000 174.7320 52 G 4.1883 8.6825 109.0113 44.7521 0.0000 172.2947 53 R 4.5941 7.8586 114.5669 53.3337 32.6716 174.5018 54 V 3.8965 8.2661 119.7124 63.1145 31.5970 175.2658 55 N 4.8440 8.5212 124.4512 53.2888 39.2081 174.7441 56 H 5.0759 7.6909 116.7986 53.9782 33.3309 172.1628 57 W 4.8274 9.6340 124.4360 55.8639 30.9570 175.4266 58 Q 4.7404 9.4132 124.4901 54.3461 31.0987 174.6302 59 V 4.4021 8.6606 125.4948 61.3654 33.6493 174.3179 60 T 5.1470 8.8634 123.7538 60.9470 69.3082 173.7290 61 V 5.0463 9.0700 126.7131 60.2313 35.5959 173.6077 62 K 5.0223 9.5480 122.4383 54.7271 34.8500 175.2198 63 V 4.6079 8.7995 124.8170 60.9449 34.4115 174.1869 64 G 3.2081 8.3957 115.6219 44.0149 0.0000 172.3813 65 F 5.6415 8.2260 118.4120 55.3027 41.8658 173.8464 66 T 4.3276 8.8448 118.6819 63.7424 68.9143 173.9816 67 L 4.2112 8.3613 127.2959 54.8306 42.2353 174.4347 68 E 4.1403 9.2672 120.7946 56.8009 31.9881 176.1529 *69 G 3.7113 8.3974 111.4472 45.0633 0.0000 172.4587 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 3 D 8.36 4.58 0.00 2.71 2.36 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 4 H 8.88 4.11 0.00 2.77 2.81 0.00 5.80 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.64 4.47 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 1.00 0.00 0.00 0.90 0.00 0.00 6 Y 8.71 5.23 0.00 2.93 2.91 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 7 K 8.19 4.47 0.00 1.42 0.74 0.00 1.56 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.25 1.29 7.81 8 I 8.17 4.86 1.85 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.76 0.87 0.00 0.00 9 V 8.63 4.53 2.14 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 0.89 0.00 0.00 1.05 0.00 0.00 10 E 8.70 5.04 0.00 1.97 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 11 L 8.96 4.94 0.00 1.56 1.46 0.88 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.56 4.95 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 1.21 0.00 0.00 13 G 8.83 4.54 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 0.00 0.00 0.00 14 S 8.07 5.79 0.00 3.84 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 15 S 8.30 4.79 0.00 3.92 3.72 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 16 P 0.00 4.82 0.00 2.27 2.18 0.00 3.85 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 17 N 9.17 4.71 0.00 2.68 2.86 0.00 0.00 6.79 7.20 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 18 G 7.07 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.11 3.57 1.68 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 -0.01 0.90 0.00 0.00 20 E 7.95 3.96 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 21 E 7.97 3.89 0.00 2.00 1.96 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 2.35 2.38 0.00 22 A 7.93 4.15 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.76 3.52 1.75 0.00 0.00 0.00 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 0.37 0.00 0.00 24 N 8.09 4.20 0.00 2.94 2.81 0.00 0.00 6.98 6.44 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 25 N 8.30 4.21 0.00 2.89 2.85 0.00 0.00 6.92 7.17 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 26 A 7.89 3.93 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.86 3.62 1.79 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.53 0.84 0.00 0.00 28 A 8.44 3.92 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 29 R 8.27 3.87 0.00 1.91 1.95 0.00 3.26 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 30 A 7.98 4.21 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 31 G 7.81 3.43 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 32 E 7.78 4.06 0.00 2.04 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 2.31 2.43 0.00 33 T 7.14 4.24 4.18 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 1.23 0.00 0.00 34 L 7.90 4.44 0.00 1.25 0.86 0.68 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.31 4.46 0.00 1.60 1.72 0.00 3.11 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.83 0.00 36 H 8.65 4.09 0.00 3.63 3.58 0.00 5.81 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 37 L 7.97 4.52 0.00 1.68 1.67 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 38 R 9.24 4.84 0.00 2.09 2.32 0.00 3.48 0.00 0.00 3.45 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 39 W 7.84 5.57 0.00 3.28 3.19 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 0.00 40 F 8.52 5.37 0.00 3.08 2.98 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 41 E 9.48 4.64 0.00 2.08 1.86 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 2.25 2.26 0.00 42 V 8.72 4.40 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 0.94 0.00 0.00 1.14 0.00 0.00 43 V 8.71 4.14 2.12 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 0.80 0.00 0.00 0.96 0.00 0.00 44 D 7.34 4.51 0.00 2.81 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.87 5.09 4.34 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 1.44 0.00 0.00 46 R 9.24 4.75 0.00 1.67 1.80 0.00 3.30 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 47 G 8.14 4.09 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 0.00 0.00 0.00 48 H 8.50 4.95 0.00 3.22 3.30 0.00 5.55 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.86 4.85 1.74 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.60 0.88 0.00 0.00 50 E 9.18 4.59 0.00 2.13 1.72 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 2.19 2.25 0.00 51 G 8.53 3.72 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 0.00 0.00 0.00 52 G 8.68 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 0.00 0.00 0.00 0.00 53 R 7.86 4.59 0.00 1.93 1.97 0.00 2.77 0.00 0.00 3.09 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.80 0.00 54 V 8.27 3.90 1.80 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 -0.17 0.00 0.00 0.52 0.00 0.00 55 N 8.52 4.84 0.00 2.64 2.83 0.00 0.00 6.81 7.31 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 56 H 7.69 5.08 0.00 3.10 3.19 0.00 5.80 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 W 9.63 4.83 0.00 3.39 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 9.41 4.74 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 59 V 8.66 4.40 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 1.02 0.00 0.00 1.08 0.00 0.00 60 T 8.86 5.15 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 1.30 0.00 0.00 61 V 9.07 5.05 2.08 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 0.64 0.00 0.00 1.09 0.00 0.00 62 K 9.55 5.02 0.00 1.71 1.73 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.38 7.81 63 V 8.80 4.61 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 0.95 0.00 0.00 0.91 0.00 0.00 64 G 8.40 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.23 5.64 0.00 3.30 3.07 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 0.00 0.00 0.00 0.00 66 T 8.84 4.33 4.30 0.00 0.00 0.00 0.00 0.00 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 67 L 8.36 4.21 0.00 1.59 1.59 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 68 E 9.27 4.14 0.00 2.02 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.35 0.00 *69 G 8.40 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.