NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7257 8.4249 118.2176 52.5309 39.2743 174.0745 3 Q 4.3363 7.6743 117.6626 55.7427 29.0647 175.4956 4 G 3.8493 8.8899 107.4216 46.7777 0.0000 174.7745 5 K 4.3582 7.7489 118.8891 56.1464 32.8158 178.0386 6 I 3.4112 7.5016 121.4765 63.8459 37.7678 177.1066 7 W 5.2623 7.8409 116.2779 56.8045 28.7861 176.7771 8 T 4.3573 8.1473 110.0965 62.4137 68.9654 175.8551 9 V 4.2134 7.7249 119.9561 62.0855 33.8199 175.9556 10 V 4.1027 8.0353 120.7890 61.1259 32.6920 174.1753 11 N 4.9025 8.7370 125.5320 52.3792 39.5828 173.9041 12 P 4.2498 0.0000 0.0000 65.7273 30.9532 178.0533 13 A 3.9709 8.3861 119.8797 54.2372 18.4972 178.8701 14 I 4.2152 7.5820 117.8628 63.6125 37.9920 178.3011 15 G 3.9344 8.6613 106.9711 47.8420 0.0000 175.9480 16 I 3.7333 7.8470 122.2123 63.8069 37.1026 176.7067 17 P 4.2336 0.0000 0.0000 65.4170 31.0331 178.4763 18 A 3.9876 8.1877 119.5696 55.0300 18.3420 179.2908 19 L 3.9366 8.3037 119.1407 58.5513 42.2440 179.2710 20 L 4.1374 8.3899 119.3327 57.6328 41.4195 179.8684 21 G 3.5816 8.4073 105.9671 47.9028 0.0000 175.9707 22 S 4.1449 8.3349 118.1545 61.2834 62.7783 177.0202 23 V 3.6048 7.9880 120.8951 66.2899 31.2166 178.2247 24 T 3.8717 7.9055 115.4473 66.6171 68.2289 176.7411 25 V 3.6223 8.0781 120.3682 66.0460 31.4324 178.1090 26 I 3.6788 8.1098 119.4610 64.2638 36.9857 177.9397 27 A 4.0655 8.1899 121.7362 55.5330 18.1243 179.5888 28 I 3.7323 8.1494 118.3239 64.7348 37.1547 178.6913 29 L 4.0090 8.2152 119.8101 57.7650 41.4317 179.8206 30 V 3.5955 8.1677 118.4382 66.1792 31.4070 177.6766 31 H 4.2424 8.4342 115.9515 59.1658 28.6744 177.7936 32 L 3.9717 8.3360 120.5745 57.5540 41.1734 179.5004 33 A 4.0202 8.0353 119.9997 55.3994 18.5738 179.4629 34 I 3.7084 7.8005 118.3473 64.2705 36.8821 178.2818 35 L 3.4173 8.0168 120.7835 58.0648 41.9084 178.7437 36 S 4.3353 7.7090 112.4313 59.5354 63.0887 174.5392 37 H 4.8066 7.4180 117.2794 55.2028 29.4286 173.2491 38 T 4.5945 7.2971 108.7287 59.4331 71.7960 174.2510 39 T 4.2206 8.1566 112.0542 63.1372 69.4403 176.8299 40 W 4.4584 7.7876 119.3093 58.8849 27.9977 178.2478 41 F 4.3746 7.2987 121.6959 60.9058 38.7026 175.4808 42 P 4.0077 0.0000 0.0000 65.3283 31.1645 178.4855 43 A 4.0813 8.0609 119.3033 54.9388 18.0010 178.9393 44 Y 4.3801 8.0218 117.7116 61.1128 39.0031 178.3378 45 W 4.3945 7.7720 117.2188 59.7642 29.2244 178.1177 46 Q 4.1498 8.4889 119.1939 58.7823 29.0856 177.7806 47 G 3.6994 9.4126 109.2154 47.6601 0.0000 174.1748 48 G 4.0262 9.0074 107.0427 45.9861 0.0000 174.7060 49 V 4.1194 7.0405 113.4019 60.7538 31.1063 176.5950 50 K 4.6824 8.0367 131.4200 56.0131 31.7917 181.2251 51 K 4.5415 8.5791 130.9972 56.4144 31.5743 176.1581 52 A 3.9657 8.7706 124.3445 51.4949 17.9563 177.4446 53 A 4.2153 7.6377 126.5744 52.7207 18.7429 177.8396 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 2 N 8.42 4.73 0.00 2.84 2.99 0.00 0.00 6.00 6.50 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 3 Q 7.67 4.34 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 4 G 8.89 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 5 K 7.75 4.36 0.00 1.80 1.81 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.42 7.81 6 I 7.50 3.41 1.56 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.55 -0.51 0.00 0.00 7 W 7.84 5.26 0.00 3.32 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 8 T 8.15 4.36 4.27 0.00 0.00 0.00 0.00 0.00 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 9 V 7.72 4.21 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 0.73 0.00 0.00 0.90 0.00 0.00 10 V 8.04 4.10 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 1.10 0.00 0.00 0.84 0.00 0.00 11 N 8.74 4.90 0.00 2.94 2.76 0.00 0.00 6.95 7.71 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 12 P 0.00 4.25 0.00 1.93 1.38 0.00 3.85 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 13 A 8.39 3.97 1.36 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 0.00 0.00 14 I 7.58 4.22 1.94 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.17 0.94 0.00 0.00 15 G 8.66 3.93 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 0.00 0.00 0.00 16 I 7.85 3.73 1.82 0.00 0.00 0.38 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 -0.15 0.81 0.00 0.00 17 P 0.00 4.23 0.00 2.16 2.10 0.00 3.67 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 2.27 2.13 0.00 18 A 8.19 3.99 1.47 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 19 L 8.30 3.94 0.00 1.99 1.95 0.99 0.69 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 20 L 8.39 4.14 0.00 1.72 1.72 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.41 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.33 4.14 0.00 4.09 3.95 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 0.00 0.00 0.00 23 V 7.99 3.60 2.24 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 1.14 0.00 0.00 1.02 0.00 0.00 24 T 7.91 3.87 4.42 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 1.23 0.00 0.00 25 V 8.08 3.62 2.25 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 1.13 0.00 0.00 0.99 0.00 0.00 26 I 8.11 3.68 2.07 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.61 0.94 0.00 0.00 27 A 8.19 4.07 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.15 3.73 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.75 0.95 0.00 0.00 29 L 8.22 4.01 0.00 1.86 1.74 0.94 0.99 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 30 V 8.17 3.60 2.24 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 1.03 0.00 0.00 1.00 0.00 0.00 31 H 8.43 4.24 0.00 3.58 3.55 0.00 5.87 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 32 L 8.34 3.97 0.00 1.71 1.72 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.04 4.02 1.39 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 0.00 0.00 34 I 7.80 3.71 1.92 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 1.38 1.07 0.59 0.00 0.00 35 L 8.02 3.42 0.00 1.23 1.66 -1.01 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.71 4.34 0.00 3.73 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 37 H 7.42 4.81 0.00 3.07 3.21 0.00 5.60 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.30 4.59 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 39 T 8.16 4.22 4.27 0.00 0.00 0.00 0.00 0.00 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 40 W 7.79 4.46 0.00 3.46 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 41 F 7.30 4.37 0.00 1.90 2.32 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 42 P 0.00 4.01 0.00 2.13 1.97 0.00 3.59 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.90 0.00 43 A 8.06 4.08 1.53 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 0.00 0.00 44 Y 8.02 4.38 0.00 3.20 3.49 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 45 W 7.77 4.39 0.00 3.58 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 46 Q 8.49 4.15 0.00 2.20 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.99 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 47 G 9.41 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 48 G 9.01 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 49 V 7.04 4.12 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 0.74 0.00 0.00 0.99 0.00 0.00 50 K 8.04 4.68 0.00 1.76 1.06 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.44 7.81 51 K 8.58 4.54 0.00 1.87 0.95 0.00 1.57 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.44 7.81 52 A 8.77 3.97 1.39 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 0.00 0.00 53 A 7.64 4.22 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