NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 H 4.6737 8.4449 117.8572 55.9241 30.9727 173.8145 4 M 4.1544 7.8379 117.5251 53.6555 32.5253 173.6571 5 P 4.3099 0.0000 0.0000 62.6713 32.9885 176.4180 6 V 4.0403 8.1350 121.3894 61.0096 31.3226 174.2043 7 P 4.7640 0.0000 0.0000 61.8285 32.5845 176.3380 8 S 4.5045 8.8955 115.1331 57.5421 65.1853 175.0138 9 F 4.4861 8.7894 123.1962 61.5470 39.0068 177.1893 10 G 3.3018 7.9312 104.7539 47.5764 0.0000 175.3389 11 E 3.4932 7.6655 120.3070 58.9567 29.4783 179.2586 12 A 4.0031 8.1979 120.9832 55.6206 18.4423 179.6601 13 M 4.1593 7.9360 116.8387 58.0757 31.7884 178.8275 14 A 3.9488 7.8653 121.1241 55.3857 18.5145 179.1851 15 Y 4.3607 7.8673 115.5280 61.4687 37.8992 178.7443 16 F 3.9582 8.9277 121.6591 61.2222 39.4242 176.8744 17 A 3.9864 8.3038 120.4146 55.5115 18.1428 179.5876 18 M 4.0401 7.8408 117.1110 58.2824 32.0890 178.9522 19 V 3.5588 7.8692 118.6354 66.0451 31.5387 178.0594 20 K 3.8321 7.9311 119.5092 59.3385 31.7413 178.7696 21 R 3.8495 7.8090 118.3655 59.3368 30.2659 177.6782 22 Y 4.1646 8.1751 119.3510 60.6232 38.9790 177.7071 23 L 3.9853 8.1537 121.8554 58.4589 42.2835 178.4861 24 T 4.3029 8.0230 105.4784 62.4010 68.6508 175.1914 25 S 4.1311 7.6742 116.9612 59.6000 63.5764 174.1767 26 F 4.5988 7.2501 119.1750 54.7639 40.6349 173.7917 27 P 4.3238 0.0000 0.0000 62.7168 31.5433 175.8960 28 I 4.4371 8.1653 123.0482 58.6731 40.1763 175.3909 29 D 4.7165 8.4240 127.6503 52.8403 41.9025 176.9172 30 D 4.4061 8.4906 118.7541 57.1287 40.6275 179.0226 31 R 3.7948 7.9621 119.2035 59.2518 30.0929 178.5195 32 V 3.5623 8.8060 118.4468 65.9703 31.5301 177.5606 33 Q 3.9729 7.8522 119.0530 59.3983 28.8051 178.4483 34 S 4.1411 8.1246 113.8844 61.8263 62.4866 175.7788 35 H 4.3756 8.4172 118.9742 58.9145 28.4361 177.8087 36 I 3.9468 8.1708 121.7030 64.6789 37.1048 178.5509 37 L 4.1278 8.2130 119.7329 57.9933 41.4066 179.4189 38 H 4.1044 8.7306 116.6844 58.8670 28.6315 177.6598 39 L 3.9863 8.0216 122.0820 57.9835 41.9851 178.5118 40 E 3.1670 8.1530 119.3955 59.2034 29.4753 178.3737 41 H 4.1388 8.0494 117.7628 59.3027 29.9082 176.9972 42 D 4.3585 8.1788 120.6674 57.4038 40.8394 178.6023 43 L 3.9586 8.0388 119.7584 57.9113 41.5570 179.9601 44 V 3.8199 7.6831 117.6933 66.3148 31.5708 177.6794 45 H 4.2421 8.4349 115.9852 57.9907 28.5371 177.7301 46 V 3.5606 7.8813 120.0181 66.2909 31.6709 178.0280 47 T 3.7222 7.2629 114.1076 66.5856 68.0086 176.5548 48 R 3.7730 7.5901 119.1598 59.4747 30.0815 178.2018 49 K 4.1456 7.9489 116.7387 58.0070 32.2791 177.2833 50 N 4.6329 7.6289 120.6029 53.2100 38.8846 174.4934 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 H 8.44 4.67 0.00 3.11 3.45 0.00 5.87 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 M 7.84 4.15 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 5 P 0.00 4.31 0.00 2.09 2.02 0.00 3.66 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 2.03 2.08 0.00 6 V 8.13 4.04 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 0.86 0.00 0.00 0.96 0.00 0.00 7 P 0.00 4.76 0.00 2.27 2.33 0.00 3.90 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 8 S 8.90 4.50 0.00 4.10 4.07 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 9 F 8.79 4.49 0.00 2.97 3.09 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 10 G 7.93 3.30 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 0.00 11 E 7.67 3.49 0.00 2.03 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 2.19 2.20 0.00 12 A 8.20 4.00 1.43 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 13 M 7.94 4.16 0.00 1.89 1.80 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.31 0.00 14 A 7.87 3.95 1.21 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 15 Y 7.87 4.36 0.00 3.19 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.93 3.96 0.00 3.21 3.30 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 17 A 8.30 3.99 1.43 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 18 M 7.84 4.04 0.00 2.02 2.31 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.90 0.00 19 V 7.87 3.56 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 0.89 0.00 0.00 0.98 0.00 0.00 20 K 7.93 3.83 0.00 1.45 1.78 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 21 R 7.81 3.85 0.00 1.85 2.18 0.00 3.33 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 22 Y 8.18 4.16 0.00 3.15 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 23 L 8.15 3.99 0.00 2.06 1.69 1.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.02 4.30 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 1.26 0.00 0.00 25 S 7.67 4.13 0.00 3.69 3.98 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 26 F 7.25 4.60 0.00 3.12 2.95 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 27 P 0.00 4.32 0.00 2.08 2.02 0.00 3.78 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 2.07 2.09 0.00 28 I 8.17 4.44 1.90 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 1.49 0.93 0.93 0.00 0.00 29 D 8.42 4.72 0.00 2.91 2.80 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 0.00 0.00 0.00 0.00 30 D 8.49 4.41 0.00 2.70 2.76 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 31 R 7.96 3.79 0.00 1.88 2.07 0.00 3.17 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 32 V 8.81 3.56 2.22 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 1.06 0.00 0.00 0.96 0.00 0.00 33 Q 7.85 3.97 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 34 S 8.12 4.14 0.00 4.05 3.96 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 0.00 0.00 0.00 35 H 8.42 4.38 0.00 3.48 3.38 0.00 5.70 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 36 I 8.17 3.95 2.17 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 1.60 1.15 1.10 0.00 0.00 37 L 8.21 4.13 0.00 1.72 1.71 1.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.73 4.10 0.00 3.29 3.40 0.00 5.62 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.02 3.99 0.00 1.89 1.81 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.15 3.17 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.11 0.00 41 H 8.05 4.14 0.00 3.39 3.48 0.00 5.84 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 42 D 8.18 4.36 0.00 2.88 2.70 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 43 L 8.04 3.96 0.00 1.69 1.75 0.38 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.68 3.82 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.03 0.00 0.00 45 H 8.43 4.24 0.00 3.19 3.26 0.00 5.88 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.88 3.56 2.15 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 0.78 0.00 0.00 0.96 0.00 0.00 47 T 7.26 3.72 3.74 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 -0.09 0.00 0.00 48 R 7.59 3.77 0.00 1.80 2.06 0.00 3.32 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 49 K 7.95 4.15 0.00 1.86 1.82 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.46 7.81 50 N 7.63 4.63 0.00 2.73 2.64 0.00 0.00 6.84 7.07 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