NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 E 4.3389 8.4293 121.4633 55.8339 31.2724 176.0132 20 I 4.4170 7.5750 107.4089 60.4371 39.3988 172.5156 21 D 5.1027 7.8119 119.9133 52.8484 45.1176 176.0493 22 Y 4.5083 8.3723 121.0070 58.7729 39.0677 177.8747 23 K 3.7989 6.9009 118.7156 58.3270 32.6862 176.9177 24 D 4.6081 7.4848 120.5869 52.4223 39.7956 176.9846 25 I 3.7550 7.5300 115.2852 63.8154 38.4765 178.9768 26 A 3.8885 7.8169 123.1426 55.8052 18.2599 179.7797 27 T 4.1532 8.6818 107.9233 64.2070 68.0440 175.3522 28 L 4.7270 7.9940 123.5188 55.8001 44.0573 178.7110 29 K 3.7908 7.7048 116.6624 58.1097 32.0177 177.0414 30 N 4.4968 7.6306 114.9917 53.4877 37.9984 175.2609 31 Y 4.8885 8.4949 117.4160 57.5231 38.2387 174.6669 32 I 4.8100 7.4193 120.4705 59.3487 40.3345 175.7317 33 T 4.1722 8.2836 115.9656 61.6306 69.3092 173.6483 34 E 4.4700 8.5297 118.9796 57.1411 29.2601 177.3234 35 S 4.6294 8.3131 113.1716 58.0085 64.4743 175.2961 36 G 4.3287 8.9317 114.1328 46.3786 0.0000 175.4945 37 K 4.0721 7.5768 118.3061 56.4635 33.2018 177.0096 38 I 4.5119 7.9332 114.2430 60.5898 39.7873 174.7450 39 V 4.5877 7.6903 113.8957 58.9436 34.2992 174.5747 40 P 4.5357 0.0000 0.0000 62.8671 32.3411 177.6112 41 S 4.2353 9.0565 115.6419 59.8619 63.7588 176.8176 42 R 3.8430 7.7325 119.0428 59.4582 29.3400 178.4475 43 I 4.2730 7.7202 108.8370 60.8398 37.4068 176.0063 44 T 4.5531 7.6499 109.6509 60.1860 70.0267 176.3220 45 G 4.0297 7.9688 112.2052 46.2940 0.0000 174.1616 46 T 3.8323 7.9253 109.3085 61.9615 68.7735 174.5583 47 R 3.9886 8.6329 124.9499 55.8788 31.9945 177.2093 48 A 3.9352 8.4949 122.5213 55.5952 17.9161 179.8372 49 K 3.6619 8.1409 117.3458 60.1475 31.9569 178.2837 50 Y 4.3726 7.7230 116.0730 61.2827 38.0856 177.4903 51 Q 3.8971 8.5649 120.8282 59.3482 29.0248 178.6119 52 R 3.8964 8.7489 119.4487 59.6064 29.9852 178.9145 53 Q 4.0836 7.6053 116.8203 59.0073 29.3143 177.4584 54 L 3.9275 8.3723 121.7833 57.9497 42.0378 178.4673 55 A 3.9545 8.0858 120.3118 55.5720 18.3698 179.4744 56 R 3.8530 7.5925 114.5761 59.6155 30.1061 179.0267 57 A 4.0585 8.0372 119.9366 55.4596 18.2619 179.6781 58 I 3.6365 7.7748 116.3120 64.8751 37.3252 178.1565 59 K 3.9084 8.7177 120.2130 58.9059 32.0331 179.2256 60 R 4.3363 8.4904 116.0904 59.8566 29.2790 178.6763 61 A 4.1129 8.3371 121.4181 55.1177 18.4149 179.8402 62 R 4.0952 7.7164 118.0640 58.9109 29.6990 178.7948 63 Y 4.4492 7.2778 115.3141 60.0212 37.8032 177.1446 64 L 4.6268 7.6398 118.0076 53.5576 42.1697 175.9311 65 S 3.7876 7.7723 111.1350 59.2037 61.4651 173.5173 66 L 4.2140 7.7039 116.0400 55.6950 41.8032 176.8751 67 L 4.6040 7.3192 118.4503 52.6260 45.9618 172.9886 68 P 4.7497 0.0000 0.0000 62.2500 32.4255 176.1287 69 Y 4.0083 8.8193 118.9543 60.9835 38.0114 176.0733 70 T 5.1089 7.3897 106.8830 60.5864 71.4791 174.1826 71 D 4.5443 8.5254 122.7736 56.3942 41.2809 177.8287 72 R 4.0370 7.9134 118.6440 59.0829 30.4068 175.5123 73 H 4.3554 7.8279 120.5136 56.5202 30.0800 172.5994 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 19 E 8.43 4.34 0.00 1.84 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 1.80 2.20 0.00 20 I 7.58 4.42 1.95 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 1.27 0.86 0.94 0.00 0.00 21 D 7.81 5.10 0.00 2.59 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 22 Y 8.37 4.51 0.00 3.34 3.18 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 0.00 23 K 6.90 3.80 0.00 1.55 1.67 0.00 1.43 0.00 0.00 1.35 0.00 0.00 2.20 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.10 0.21 7.81 24 D 7.48 4.61 0.00 2.67 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 25 I 7.53 3.75 1.86 0.00 0.00 0.84 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 0.66 0.92 0.00 0.00 26 A 7.82 3.89 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.68 4.15 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 1.22 0.00 0.00 28 L 7.99 4.73 0.00 1.83 1.69 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.70 3.79 0.00 1.62 1.83 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.67 7.81 30 N 7.63 4.50 0.00 2.36 2.68 0.00 0.00 5.99 7.55 0.00 0.00 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 Y 8.49 4.89 0.00 3.09 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.42 4.81 1.87 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 1.49 0.79 0.99 0.00 0.00 33 T 8.28 4.17 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 1.31 0.00 0.00 34 E 8.53 4.47 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 35 S 8.31 4.63 0.00 3.83 3.79 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 0.00 0.00 0.00 36 G 8.93 4.33 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 0.00 0.00 0.00 37 K 7.58 4.07 0.00 1.96 1.97 0.00 1.51 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.44 7.81 38 I 7.93 4.51 1.99 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 1.35 0.87 0.91 0.00 0.00 39 V 7.69 4.59 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 0.75 0.00 0.00 1.05 0.00 0.00 40 P 0.00 4.54 0.00 2.08 1.99 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 41 S 9.06 4.24 0.00 4.28 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 42 R 7.73 3.84 0.00 1.88 2.23 0.00 2.78 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 43 I 7.72 4.27 1.90 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 1.49 0.76 0.93 0.00 0.00 44 T 7.65 4.55 4.37 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 1.40 0.00 0.00 45 G 7.97 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 46 T 7.93 3.83 4.29 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 1.24 0.00 0.00 47 R 8.63 3.99 0.00 1.68 1.77 0.00 2.43 0.00 0.00 2.64 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.23 0.00 48 A 8.49 3.94 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 K 8.14 3.66 0.00 1.78 1.75 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.58 7.81 50 Y 7.72 4.37 0.00 3.14 2.81 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 0.00 0.00 0.00 51 Q 8.56 3.90 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 52 R 8.75 3.90 0.00 2.10 1.98 0.00 3.19 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 53 Q 7.61 4.08 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 54 L 8.37 3.93 0.00 1.83 1.69 0.74 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.09 3.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.59 3.85 0.00 2.12 2.04 0.00 3.15 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 57 A 8.04 4.06 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 58 I 7.77 3.64 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.78 0.87 0.00 0.00 59 K 8.72 3.91 0.00 2.04 1.93 0.00 1.72 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.52 7.81 60 R 8.49 4.34 0.00 1.84 2.18 0.00 2.71 0.00 0.00 2.38 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.68 0.00 61 A 8.34 4.11 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 62 R 7.72 4.10 0.00 0.89 0.66 0.00 2.39 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.43 0.00 63 Y 7.28 4.45 0.00 3.19 3.01 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 0.00 64 L 7.64 4.63 0.00 1.68 1.76 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.77 3.79 0.00 4.08 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.70 4.21 0.00 1.88 1.74 1.09 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.32 4.60 0.00 1.43 1.39 0.91 0.86 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 68 P 0.00 4.75 0.00 2.38 2.05 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 69 Y 8.82 4.01 0.00 3.05 3.05 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 70 T 7.39 5.11 4.28 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 1.26 0.00 0.00 71 D 8.53 4.54 0.00 2.77 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 72 R 7.91 4.04 0.00 1.79 2.00 0.00 3.26 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 73 H 7.83 4.36 0.00 3.16 3.08 0.00 5.84 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