NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 P 3.5482 0.0000 0.0000 62.2937 32.2508 175.4945 10 Y 4.4109 7.8568 122.4679 55.5058 39.7894 173.7043 11 T 4.1767 8.3423 126.0163 64.8389 69.7779 175.7527 12 G 3.7242 6.8328 104.7391 44.1036 0.0000 171.3700 13 P 4.3070 0.0000 0.0000 65.0046 31.8378 177.9004 14 C 4.5212 7.8961 116.3052 56.8998 40.7376 173.4094 15 K 4.4852 8.1534 119.1827 56.1042 32.4758 176.5318 16 A 4.2793 7.9782 121.3699 51.3815 20.7699 177.7864 17 R 4.6213 8.2432 118.7358 54.1427 30.0207 172.3957 18 I 4.4316 8.3494 122.6521 58.7558 39.9101 174.6544 19 I 4.4242 8.3047 128.6836 61.2050 37.7276 175.5580 20 R 4.6940 8.4491 125.2704 54.6026 34.8462 173.7643 21 Y 5.6468 9.1445 118.1037 56.9951 40.6601 175.1443 22 F 5.7047 9.4959 116.1911 55.8704 42.0113 172.4357 23 Y 4.6468 9.4144 122.6546 57.4130 39.2502 173.7278 24 N 4.3184 10.7984 122.8013 54.6647 42.9255 173.0965 *29 L 4.2074 7.3517 117.5357 55.1611 44.0589 174.8009 30 C 4.9951 8.6053 116.6882 56.1583 40.9581 173.1857 31 Q 4.9255 8.5300 123.0264 54.1446 32.5674 174.7151 32 T 5.2180 8.4180 110.1372 60.9947 70.9187 173.8249 33 F 4.9382 8.6465 116.4903 55.9540 41.8730 172.9667 34 V 4.1956 8.4058 120.2674 62.2564 32.3115 174.2607 35 Y 4.7587 9.1731 131.0900 55.9904 40.1131 176.6932 36 G 3.6838 8.4915 114.2274 47.1623 0.0000 174.8185 37 G 3.8714 6.1358 105.8012 45.2883 0.0000 172.2051 38 C 4.8470 7.2310 112.1872 55.0092 44.6386 173.4143 39 R 3.7445 8.7618 117.1987 57.4448 27.1148 176.5798 40 A 4.4081 7.9772 118.6378 52.2164 19.5056 177.9162 41 K 4.4152 8.3054 122.2445 55.3907 34.4498 177.6288 *42 R 4.0353 8.2899 117.0981 59.5405 29.9029 173.1544 43 N 4.5711 7.7271 117.0704 52.2977 37.8823 175.9590 44 N 5.0313 6.7756 116.5141 52.6887 41.0123 172.7666 45 F 5.0378 9.3996 124.9209 55.7099 41.8018 176.9395 46 K 4.4421 8.7588 120.8785 57.3763 32.5083 176.8504 47 S 4.5845 7.6926 112.2642 55.5037 66.2598 174.9567 48 A 3.3013 7.7087 123.1311 54.7730 18.0649 179.6403 49 E 3.7306 7.8585 115.7616 59.9209 29.2429 178.9096 50 D 4.2343 7.5422 117.3311 56.6363 41.2700 177.1150 51 C 2.4500 7.0525 118.1627 59.2130 43.7078 175.2549 52 M 3.8794 8.1784 119.1400 57.6334 31.5747 176.9451 53 R 4.0888 7.5156 123.0488 56.5435 30.3988 175.7579 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 P 0.00 3.55 0.00 0.97 0.49 0.00 3.32 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.44 0.00 10 Y 7.86 4.41 0.00 2.86 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.34 4.18 4.11 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 0.00 0.00 0.00 1.18 0.00 0.00 12 G 6.83 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.31 0.00 2.18 2.19 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 14 C 7.90 4.52 0.00 2.86 2.97 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 15 K 8.15 4.49 0.00 1.66 1.73 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.34 7.81 16 A 7.98 4.28 1.18 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 0.00 0.00 17 R 8.24 4.62 0.00 1.73 1.76 0.00 3.33 0.00 0.00 3.18 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 18 I 8.35 4.43 2.01 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 1.16 1.04 0.96 0.00 0.00 19 I 8.30 4.42 1.77 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.67 0.70 0.00 0.00 20 R 8.45 4.69 0.00 0.68 1.83 0.00 3.46 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.52 0.00 21 Y 9.14 5.65 0.00 3.15 3.06 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 22 F 9.50 5.70 0.00 3.14 3.12 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 0.00 0.00 0.00 23 Y 9.41 4.65 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 10.80 4.32 0.00 2.16 2.36 0.00 0.00 6.40 6.54 0.00 0.00 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 L 7.35 4.21 0.00 1.66 1.40 0.86 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.61 5.00 0.00 2.83 3.03 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 31 Q 8.53 4.93 0.00 1.87 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.74 0.00 0.00 0.00 0.00 0.00 2.14 1.90 0.00 32 T 8.42 5.22 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 33 F 8.65 4.94 0.00 2.94 2.98 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 34 V 8.41 4.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.90 0.00 0.00 35 Y 9.17 4.76 0.00 2.53 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 36 G 8.49 3.68 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 0.00 0.00 0.00 37 G 6.14 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.23 4.85 0.00 3.07 2.98 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 39 R 8.76 3.74 0.00 2.12 2.24 0.00 3.26 0.00 0.00 3.29 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 40 A 7.98 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.31 4.42 0.00 1.72 1.69 0.00 1.44 0.00 0.00 1.50 0.00 0.00 2.57 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.07 1.20 7.81 *42 R 8.29 4.04 0.00 1.83 1.84 0.00 3.26 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 43 N 7.73 4.57 0.00 2.71 2.82 0.00 0.00 6.65 7.79 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 44 N 6.78 5.03 0.00 2.65 2.63 0.00 0.00 7.12 7.02 0.00 0.00 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 F 9.40 5.04 0.00 3.30 3.04 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 0.00 0.00 0.00 46 K 8.76 4.44 0.00 1.84 1.94 0.00 1.78 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.47 7.81 47 S 7.69 4.58 0.00 4.07 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 7.71 3.30 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.86 3.73 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 50 D 7.54 4.23 0.00 2.69 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 51 C 7.05 2.45 0.00 2.73 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 M 8.18 3.88 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.60 0.00 53 R 7.52 4.09 0.00 1.74 1.85 0.00 3.26 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.