NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.3813 8.1927 115.5406 57.5946 66.0622 171.8746 10 V 4.5122 7.6233 121.6938 61.0514 33.6869 169.4148 11 V 4.9882 8.9333 120.8330 59.5077 36.7532 173.8924 12 R 4.9156 8.8785 122.7375 54.0858 32.9240 174.7683 13 A 4.1830 8.5106 128.8501 52.2244 18.6233 178.4144 14 K 3.6971 8.9812 123.5022 58.4184 32.7688 177.1688 15 F 5.1117 7.7512 115.7182 55.2288 43.3354 174.5477 16 N 4.9991 9.0744 117.5063 53.7412 39.4525 174.6293 17 F 4.9852 9.2670 124.3334 56.5888 42.7860 173.2554 18 Q 4.5849 7.9282 125.1874 53.5514 29.9324 175.7161 19 Q 3.7775 8.3558 123.6334 56.4944 29.0521 176.6067 20 T 4.3423 8.8184 109.8670 61.9157 69.7058 173.4022 21 N 4.8064 7.4512 118.2669 52.4961 39.6827 174.1858 22 E 4.6154 8.6105 116.3812 57.2505 29.7594 176.9997 23 D 4.7455 8.7203 120.0631 55.5561 41.9366 175.9302 24 E 5.4571 7.9498 116.9821 54.5089 32.3686 175.1199 25 L 4.8422 9.2038 124.7596 53.6432 43.5543 176.2764 26 S 4.7218 8.8448 122.8508 58.5115 64.0255 173.2817 27 F 5.0167 8.4655 116.7905 56.4197 41.6544 172.9026 28 S 5.3835 9.9514 115.8753 56.1697 65.8030 174.0251 29 K 4.0171 9.1481 123.7290 58.7434 32.1244 177.0847 30 G 3.9794 8.7853 115.2563 45.0527 0.0000 173.4762 31 D 4.4573 7.9896 120.3073 54.3951 42.0760 175.5236 32 V 4.4339 8.2282 122.3784 61.7761 32.7016 174.9146 33 I 4.5222 8.6205 128.9235 59.7739 40.4796 174.2395 34 H 5.0769 8.7173 123.3950 54.0264 30.4799 174.4423 35 V 4.3550 8.9170 125.7535 63.2977 31.1883 175.7183 36 T 4.4188 8.7592 118.4320 62.4558 70.7556 175.1167 37 R 4.3840 7.4212 122.4562 54.9431 33.6330 173.5296 38 V 4.0443 8.2310 126.6862 61.3275 32.4665 174.7322 39 E 4.9222 8.5750 124.2791 54.4954 33.0339 175.6149 40 E 4.4264 8.5777 120.6869 56.3887 30.4887 176.9651 41 G 4.0101 9.2206 106.9081 45.2898 0.0000 174.8641 42 G 3.7758 8.7329 107.6545 44.3556 0.0000 172.8604 43 W 5.2804 8.0628 119.4104 54.5774 32.6585 174.4658 44 W 5.4076 8.8249 123.3558 54.9152 32.6581 173.9892 45 E 4.3169 8.1685 123.1645 55.0321 31.2042 175.0365 46 G 4.6638 8.9122 111.8242 45.9777 0.0000 171.3370 47 T 5.3949 9.2233 114.3761 60.4674 70.7388 172.1384 48 H 5.0540 9.1818 127.4961 55.0906 33.5762 172.6572 49 N 4.0501 9.6537 124.1350 54.6814 37.0931 174.7233 50 G 3.9695 8.1578 103.2050 45.6616 0.0000 173.1296 51 R 4.7974 7.9740 119.0179 54.6615 33.0523 175.2581 52 T 5.0600 8.0953 118.1833 62.1418 71.7001 173.4802 53 G 4.1644 8.7398 111.8372 45.9218 0.0000 171.9770 54 W 5.4745 9.1281 120.1641 56.0673 30.9832 176.0972 55 F 5.1314 9.1569 116.9360 54.9583 41.6626 171.8239 56 P 3.9737 0.0000 0.0000 61.7945 31.8635 178.0454 57 S 3.1642 8.0156 118.9150 60.5774 62.7026 175.3932 58 N 4.6415 7.6901 115.7491 53.2330 37.6143 174.9186 59 Y 4.7539 8.1911 116.8372 59.0154 38.5718 175.0451 60 V 4.9194 7.3193 111.2358 59.3480 35.9057 174.9030 61 R 4.6686 8.8744 122.3170 54.1528 33.0696 174.3391 62 E 4.4560 9.0595 127.1531 56.6518 30.5624 176.4580 63 I 4.1263 8.5125 126.5209 61.4601 36.9891 175.6021 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 9 S 8.19 4.38 0.00 4.03 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 10 V 7.62 4.51 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 0.91 0.00 0.00 0.91 0.00 0.00 11 V 8.93 4.99 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 0.86 0.00 0.00 1.01 0.00 0.00 12 R 8.88 4.92 0.00 1.72 1.64 0.00 3.03 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.54 0.00 13 A 8.51 4.18 0.98 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 0.00 0.00 14 K 8.98 3.70 0.00 0.81 0.75 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.61 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.20 1.21 7.81 15 F 7.75 5.11 0.00 2.66 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 16 N 9.07 5.00 0.00 2.75 2.86 0.00 0.00 6.61 7.45 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 17 F 9.27 4.99 0.00 2.93 1.61 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 18 Q 7.93 4.58 0.00 1.73 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.73 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 19 Q 8.36 3.78 0.00 2.31 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 20 T 8.82 4.34 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 1.20 0.00 0.00 21 N 7.45 4.81 0.00 2.91 2.93 0.00 0.00 6.24 7.66 0.00 0.00 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 E 8.61 4.62 0.00 2.00 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 2.30 2.33 0.00 23 D 8.72 4.75 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.95 5.46 0.00 2.10 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 0.00 2.31 2.21 0.00 25 L 9.20 4.84 0.00 1.87 2.00 1.14 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.84 4.72 0.00 3.81 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.47 5.02 0.00 3.10 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 28 S 9.95 5.38 0.00 3.91 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 9.15 4.02 0.00 1.73 1.80 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.46 7.81 30 G 8.79 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 0.00 0.00 0.00 31 D 7.99 4.46 0.00 2.52 2.28 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 0.00 32 V 8.23 4.43 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 0.69 0.00 0.00 0.88 0.00 0.00 33 I 8.62 4.52 1.44 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.13 0.69 0.00 0.00 34 H 8.72 5.08 0.00 3.10 3.23 0.00 5.61 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.92 4.35 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 0.47 0.00 0.00 1.05 0.00 0.00 36 T 8.76 4.42 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 1.25 0.00 0.00 37 R 7.42 4.38 0.00 1.69 1.34 0.00 3.21 0.00 0.00 3.44 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 38 V 8.23 4.04 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 0.65 0.00 0.00 0.21 0.00 0.00 39 E 8.58 4.92 0.00 2.39 1.98 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 2.40 2.56 0.00 40 E 8.58 4.43 0.00 2.03 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 2.39 2.31 0.00 41 G 9.22 4.01 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 0.00 0.00 0.00 42 G 8.73 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.06 5.28 0.00 3.26 3.23 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 44 W 8.82 5.41 0.00 2.33 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.17 4.32 0.00 1.16 1.12 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 0.00 1.81 1.47 0.00 46 G 8.91 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.22 5.39 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 1.24 0.00 0.00 48 H 9.18 5.05 0.00 3.27 3.18 0.00 5.98 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 N 9.65 4.05 0.00 2.49 2.68 0.00 0.00 7.17 7.98 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 50 G 8.16 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 0.00 0.00 0.00 51 R 7.97 4.80 0.00 1.95 1.89 0.00 3.13 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 52 T 8.10 5.06 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 1.26 0.00 0.00 53 G 8.74 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 0.00 0.00 0.00 0.00 54 W 9.13 5.47 0.00 3.15 3.16 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 55 F 9.16 5.13 0.00 3.00 3.35 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 56 P 0.00 3.97 0.00 1.52 1.07 0.00 2.72 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.68 0.00 57 S 8.02 3.16 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.69 4.64 0.00 2.84 2.85 0.00 0.00 6.02 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 59 Y 8.19 4.75 0.00 3.43 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.32 4.92 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 0.40 0.00 0.00 1.22 0.00 0.00 61 R 8.87 4.67 0.00 1.74 1.66 0.00 3.05 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 62 E 9.06 4.46 0.00 2.13 1.89 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 2.31 2.50 0.00 63 I 8.51 4.13 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.67 0.89 0.00 0.00