NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4507 8.2893 120.3481 55.2184 33.5214 175.3022 2 V 3.5504 8.6274 126.0868 63.0636 31.7596 174.7556 3 I 4.4888 7.9959 121.3542 58.4937 41.0734 175.2735 4 A 4.7769 10.6000 129.6700 50.2759 21.7553 177.2645 5 T 3.8665 8.4047 115.5665 67.1151 68.1409 176.6575 6 D 4.5775 8.1268 119.0880 57.3287 40.8598 178.0174 7 D 4.5207 8.2419 118.4225 55.8342 41.1020 176.7280 8 L 4.5547 8.1541 119.1501 55.4975 44.0363 176.4279 9 E 5.1605 8.0469 115.0141 54.4597 33.2935 175.7667 10 V 4.5151 8.6277 120.4431 60.7332 35.4003 174.4258 11 A 4.2817 8.7987 128.8008 52.5765 19.2087 176.5865 12 C 4.2858 8.9793 123.9148 58.7025 31.9133 172.9568 13 P 4.3391 0.0000 0.0000 65.3062 31.5248 177.8874 14 K 4.0317 8.2199 119.9804 59.3117 32.4177 177.0690 15 C 4.5023 8.0913 110.9157 56.9935 30.0449 173.1088 16 E 3.8360 8.8404 118.0311 57.7850 27.1804 175.7261 17 R 4.2428 8.3595 115.4241 56.4085 29.2816 176.4760 18 A 3.9925 8.3020 120.1706 56.0166 18.5083 179.3982 19 G 4.0547 8.9250 103.3834 45.1090 0.0000 172.6922 20 E 5.0036 7.6065 117.2498 54.6111 32.9760 175.6748 21 I 4.2253 8.9902 124.5629 60.3054 36.9723 175.4928 22 E 3.7644 9.5349 126.2207 57.8248 27.1545 175.4479 23 G 4.1373 7.4394 108.0846 46.5512 0.0000 175.8324 24 T 4.1639 7.8718 111.9732 59.5122 69.7711 172.1487 25 P 4.6849 0.0000 0.0000 62.5859 31.9870 175.7197 26 C 4.0894 8.7784 122.5499 59.4418 32.1698 172.5131 27 P 4.1405 0.0000 0.0000 65.7683 31.4850 178.2160 28 A 3.9887 8.1799 119.6349 55.5302 18.2014 178.6230 29 C 4.1794 8.0139 107.7877 58.8968 30.5373 173.2421 30 S 3.6372 8.3589 116.1996 59.7392 59.5776 172.9340 31 G 4.0264 8.0439 104.7275 46.0789 0.0000 173.8646 32 K 4.0976 7.7541 118.7622 56.3614 32.7874 179.4635 33 G 4.0865 8.3715 106.3437 45.4262 0.0000 173.0209 34 V 4.8352 7.4271 117.8463 61.1529 34.6591 174.7307 35 I 4.5741 8.8487 127.4295 59.6345 40.0151 174.4795 36 L 4.8152 8.1603 124.9634 53.5227 43.1198 176.7616 37 T 4.1943 8.4417 113.3927 61.0284 70.3289 175.4129 38 A 4.2590 8.9525 124.0786 55.8833 18.1017 179.6906 39 Q 4.0305 8.2565 117.3285 59.2352 28.9757 178.7702 40 G 3.4711 7.9835 106.5664 47.9629 0.0000 175.1008 41 Y 4.2689 7.5746 119.8742 61.0720 38.0576 178.7483 42 T 4.0495 8.1387 116.5799 66.9699 68.6189 176.4030 43 L 4.0880 7.7566 120.3316 57.7371 41.7477 179.1082 44 L 3.9714 8.1008 120.2565 58.4052 42.0470 178.7143 45 D 4.3677 8.9376 119.4750 57.4038 40.9298 178.2140 46 F 4.2297 8.1657 120.7257 61.7277 39.2782 176.9734 47 I 3.2869 8.4882 119.1659 64.5029 36.7944 177.9062 48 Q 3.8776 8.2190 119.4637 59.3511 28.7925 178.8252 49 K 3.9543 7.8370 119.2316 59.6890 32.4763 177.9968 50 H 4.5291 7.3486 112.7431 55.1644 29.4497 175.5060 51 L 3.9622 7.4339 123.8772 55.9177 42.4220 176.1056 52 N 4.2115 8.6493 122.3156 54.6863 35.9215 174.3811 53 K 4.1762 8.1032 121.7681 56.5781 32.4870 176.6109 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 M 8.29 4.45 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.53 0.00 2 V 8.63 3.55 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 0.71 0.00 0.00 0.92 0.00 0.00 3 I 8.00 4.49 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.95 0.90 0.00 0.00 4 A 10.60 4.78 1.24 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 0.00 0.00 5 T 8.40 3.87 4.23 0.00 0.00 0.00 0.00 0.00 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 6 D 8.13 4.58 0.00 2.61 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 4.52 0.00 2.86 2.71 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 8 L 8.15 4.55 0.00 1.61 1.61 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.05 5.16 0.00 1.77 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 10 V 8.63 4.52 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.91 0.00 0.00 11 A 8.80 4.28 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.98 4.29 0.00 3.03 2.93 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 13 P 0.00 4.34 0.00 2.22 2.17 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 14 K 8.22 4.03 0.00 1.74 1.87 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.43 7.81 15 C 8.09 4.50 0.00 3.13 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.84 3.84 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 17 R 8.36 4.24 0.00 1.95 2.12 0.00 3.23 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 18 A 8.30 3.99 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.93 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 0.00 0.00 0.00 20 E 7.61 5.00 0.00 1.91 1.81 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 2.20 2.29 0.00 21 I 8.99 4.23 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 1.30 1.24 0.91 0.00 0.00 22 E 9.53 3.76 0.00 2.11 2.03 0.00 0.00 0.00 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 2.29 0.00 23 G 7.44 4.14 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 0.00 0.00 0.00 24 T 7.87 4.16 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 1.21 0.00 0.00 25 P 0.00 4.68 0.00 2.20 2.10 0.00 3.78 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 1.96 0.00 26 C 8.78 4.09 0.00 2.96 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 27 P 0.00 4.14 0.00 2.22 2.07 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 28 A 8.18 3.99 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.01 4.18 0.00 3.10 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 30 S 8.36 3.64 0.00 4.07 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 31 G 8.04 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.75 4.10 0.00 2.04 1.96 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.53 7.81 33 G 8.37 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 34 V 7.43 4.84 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.97 0.00 0.00 35 I 8.85 4.57 1.86 0.00 0.00 0.87 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 0.60 0.94 0.00 0.00 36 L 8.16 4.82 0.00 0.47 0.65 0.72 0.74 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 37 T 8.44 4.19 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 1.21 0.00 0.00 38 A 8.95 4.26 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.26 4.03 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 40 G 7.98 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.57 4.27 0.00 3.28 3.11 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 0.00 0.00 0.00 42 T 8.14 4.05 4.47 0.00 0.00 0.00 0.00 0.00 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 43 L 7.76 4.09 0.00 1.80 1.78 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.10 3.97 0.00 1.84 1.93 0.95 1.22 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 45 D 8.94 4.37 0.00 2.89 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.17 4.23 0.00 3.23 3.39 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 0.00 47 I 8.49 3.29 2.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.77 0.88 0.00 0.00 48 Q 8.22 3.88 0.00 2.06 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 49 K 7.84 3.95 0.00 1.76 1.92 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.92 1.29 7.81 50 H 7.35 4.53 0.00 2.73 3.12 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.43 3.96 0.00 1.74 1.52 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.65 4.21 0.00 2.87 2.88 0.00 0.00 6.93 7.61 0.00 0.00 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 K 8.10 4.18 0.00 1.71 1.68 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.19 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.51 1.37 7.81