NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4936 8.1633 118.3315 55.3032 33.4932 173.3764 2 Q 4.9395 8.2090 116.7115 53.8925 32.1758 173.6541 3 Y 5.2000 9.4065 120.4220 56.1802 42.3597 174.1204 4 K 5.0773 9.5355 123.2833 54.6451 35.2083 174.2994 5 L 5.0913 9.2307 130.5784 53.4374 44.2113 174.7940 6 I 4.5342 8.6190 127.4472 59.9285 39.5930 174.7585 7 L 4.4356 8.5786 127.6104 53.8176 43.0860 175.4759 8 N 4.8477 8.6240 122.1679 50.7405 38.0952 173.8586 9 G 4.5021 8.2116 118.7675 45.0304 0.0000 170.5123 10 K 4.1297 8.9908 119.4311 59.3659 32.1074 178.2262 11 T 4.4532 7.5888 103.4551 60.4925 70.1842 173.2325 12 L 4.3489 7.7819 125.2141 53.9672 41.9905 175.1997 13 K 5.3140 7.9837 124.4034 53.0736 36.6149 177.2871 14 G 4.0559 7.4748 108.6030 46.2829 0.0000 170.9530 15 E 5.3278 8.6133 119.9601 55.0004 33.5219 175.4928 16 T 4.8385 8.7890 110.4336 61.0677 72.4878 172.7969 17 T 5.3085 8.4580 118.2866 63.1947 73.2062 172.7154 18 T 4.6449 9.0616 116.0594 61.1179 71.4706 171.7703 19 E 5.2449 8.7268 127.4494 54.7767 30.7826 174.6513 20 A 4.8083 9.1956 128.1711 51.0395 22.3581 176.4647 21 V 3.8362 8.6207 118.8890 63.7916 32.0045 176.7807 22 D 5.0539 7.7694 118.1209 51.9384 44.7525 176.6798 23 A 3.1358 8.4098 126.0672 54.9521 18.3744 180.0275 24 A 4.0183 7.9492 118.9642 55.0381 18.2638 179.3566 25 T 3.7535 7.4888 111.1406 64.9797 67.2474 176.3275 26 A 3.6648 7.1899 122.7555 54.6482 17.7186 179.3960 27 E 3.5141 7.4374 115.7597 59.1093 29.5069 179.4368 28 K 3.7261 7.2207 118.6987 59.2240 32.0355 179.3951 29 V 3.3478 7.1582 117.6893 65.9705 31.5276 177.9409 30 F 4.4583 7.0607 117.1208 60.6072 38.5150 177.9534 31 K 3.4863 8.5646 117.8384 59.3780 31.8887 179.0454 32 Q 4.0612 7.9641 119.8593 59.1748 28.9420 177.5429 33 Y 4.4123 8.9239 122.3041 59.9568 38.8540 177.5417 34 A 4.0632 8.4982 122.0904 55.1009 18.2598 179.0975 35 N 4.2367 7.6224 113.3400 57.0893 38.9067 176.2129 36 D 4.4048 7.9599 119.2371 56.6448 41.2471 177.7504 37 N 4.2975 7.4483 115.6462 53.4578 39.2252 174.9321 38 G 4.0547 8.5706 106.3324 45.6329 0.0000 174.0943 39 V 4.0517 7.4242 119.1267 60.8244 31.1206 175.1356 40 D 4.9392 8.7958 124.7902 52.3530 43.3092 174.1762 41 G 3.8485 7.9568 119.1303 44.6297 0.0000 170.3810 42 E 4.2876 9.2859 121.7669 56.2733 30.5279 176.8446 43 W 5.1111 8.7695 123.3630 55.2673 31.4297 174.9187 44 T 4.7998 8.5594 114.1664 61.8358 70.6931 171.6409 45 Y 4.7824 8.3182 125.7686 56.3580 42.5360 172.6773 46 D 4.4388 8.2954 127.6103 52.6748 42.0809 176.3101 47 D 4.2903 8.3363 124.5815 54.5705 41.7673 176.8570 48 A 4.1605 7.7433 120.8275 54.7169 18.7497 177.9843 49 T 4.4513 8.9489 104.1529 60.1208 70.2215 174.2180 50 K 4.1693 7.8629 120.1936 58.5530 29.7733 174.5013 51 T 5.2856 7.9234 114.1320 61.9912 72.3514 175.2391 52 F 5.5480 9.9853 126.0415 56.4266 42.5613 175.0173 53 T 5.0475 8.6131 110.1099 60.5781 72.2633 172.7002 54 V 3.7047 7.9099 124.4017 59.6277 33.7487 174.3708 55 T 5.3194 8.9572 120.3019 58.9252 70.0857 173.3953 56 E 4.3196 8.6864 125.8765 56.3936 29.5308 175.8405 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 8.16 4.49 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.84 0.00 2 Q 8.21 4.94 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.63 0.00 3 Y 9.41 5.20 0.00 3.42 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.54 5.08 0.00 1.82 1.70 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.46 7.81 5 L 9.23 5.09 0.00 0.27 0.66 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.62 4.53 1.84 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 1.39 1.31 0.97 0.00 0.00 7 L 8.58 4.44 0.00 1.93 1.82 1.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.62 4.85 0.00 2.73 2.85 0.00 0.00 6.12 6.67 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 9 G 8.21 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.99 4.13 0.00 1.74 1.87 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.52 7.81 11 T 7.59 4.45 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 12 L 7.78 4.35 0.00 1.69 1.61 0.95 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.98 5.31 0.00 1.70 1.63 0.00 1.93 0.00 0.00 2.36 0.00 0.00 3.17 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.53 7.81 14 G 7.47 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.61 5.33 0.00 1.82 1.83 0.00 0.00 0.00 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 2.22 0.00 16 T 8.79 4.84 4.25 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 17 T 8.46 5.31 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 1.35 0.00 0.00 18 T 9.06 4.64 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 19 E 8.73 5.24 0.00 2.02 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 2.22 2.39 0.00 20 A 9.20 4.81 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.62 3.84 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 0.70 0.00 0.00 0.98 0.00 0.00 22 D 7.77 5.05 0.00 2.80 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.41 3.14 1.16 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 0.00 0.00 24 A 7.95 4.02 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 25 T 7.49 3.75 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 1.18 0.00 0.00 26 A 7.19 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.44 3.51 0.00 1.83 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 2.18 2.02 0.00 28 K 7.22 3.73 0.00 1.83 1.76 0.00 1.55 0.00 0.00 1.47 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.49 7.81 29 V 7.16 3.35 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 0.89 0.00 0.00 0.69 0.00 0.00 30 F 7.06 4.46 0.00 2.83 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 31 K 8.56 3.49 0.00 1.31 1.46 0.00 1.33 0.00 0.00 1.04 0.00 0.00 2.13 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.30 0.49 7.81 32 Q 7.96 4.06 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 33 Y 8.92 4.41 0.00 3.15 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 34 A 8.50 4.06 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 0.00 0.00 0.00 0.00 0.00 35 N 7.62 4.24 0.00 2.76 2.90 0.00 0.00 7.26 8.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.96 4.40 0.00 2.58 2.61 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 0.00 0.00 0.00 0.00 37 N 7.45 4.30 0.00 2.29 2.70 0.00 0.00 7.43 7.33 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 38 G 8.57 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 39 V 7.42 4.05 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 0.82 0.00 0.00 0.91 0.00 0.00 40 D 8.80 4.94 0.00 2.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.96 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 42 E 9.29 4.29 0.00 1.83 1.92 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 2.51 2.44 0.00 43 W 8.77 5.11 0.00 3.24 3.33 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 44 T 8.56 4.80 4.31 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 0.00 0.00 0.00 1.33 0.00 0.00 45 Y 8.32 4.78 0.00 2.72 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.30 4.44 0.00 2.53 2.26 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 0.00 47 D 8.34 4.29 0.00 2.60 2.59 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 48 A 7.74 4.16 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 49 T 8.95 4.45 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 1.17 0.00 0.00 50 K 7.86 4.17 0.00 1.96 1.86 0.00 1.75 0.00 0.00 2.16 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.25 7.81 51 T 7.92 5.29 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 1.29 0.00 0.00 52 F 9.99 5.55 0.00 2.88 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 53 T 8.61 5.05 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 1.22 0.00 0.00 54 V 7.91 3.70 0.67 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 0.28 0.00 0.00 -0.09 0.00 0.00 55 T 8.96 5.32 4.13 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 1.19 0.00 0.00 56 E 8.69 4.32 0.00 1.96 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 2.10 2.23 0.00