NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.2179 8.2549 120.8541 55.1359 31.1398 175.2783 4 P 4.2316 0.0000 0.0000 61.7608 32.2937 175.8891 5 S 4.1789 8.5263 115.4052 61.1936 63.2691 176.1351 6 L 4.0551 8.0017 122.3271 59.0598 39.7720 179.8212 7 C 4.5829 7.9503 116.1632 59.3374 40.1780 174.7065 8 D 4.5214 7.7877 118.0321 53.8212 41.1024 176.8202 9 L 4.2075 7.1390 119.9520 53.9619 42.2901 174.9151 10 P 4.5792 0.0000 0.0000 61.2427 32.7352 175.7662 11 A 3.0743 7.9045 122.9630 52.0631 18.6837 176.7531 12 D 4.6993 7.9317 121.2521 52.1900 43.2827 176.2866 13 S 4.7745 8.2673 123.4952 59.5917 63.4358 175.1977 14 G 3.9090 8.5122 106.3127 44.3231 0.0000 173.1964 15 S 4.6042 8.0988 114.3107 57.7232 63.9168 174.8204 16 G 3.8220 7.6567 110.0540 45.7787 0.0000 173.3489 17 T 4.5427 8.1602 114.4477 63.0945 70.0621 174.8567 18 K 4.2677 8.2528 121.9411 55.8750 34.0774 175.9584 19 A 4.9999 8.4427 124.3917 50.1632 19.1753 174.9949 20 E 4.8404 8.9701 120.7960 54.4751 34.2260 174.4807 21 K 5.0279 8.4508 118.1231 55.1644 35.7865 176.2111 22 R 4.7629 8.4948 121.9880 54.5611 35.3448 173.7401 23 I 5.3798 9.2234 120.8717 60.0076 39.7918 174.9396 24 Y 5.3611 9.3591 124.4463 55.2732 41.6837 173.7342 25 Y 4.4456 9.5460 123.4773 57.0956 39.8058 174.4571 26 N 4.4970 7.7192 126.8330 51.7212 38.9826 175.4750 27 S 3.6787 8.3640 121.7809 60.8107 63.5947 175.9258 28 A 4.0549 7.9765 123.1337 55.0119 18.1662 178.5065 29 R 4.0718 7.7615 112.3652 56.3339 30.5895 176.5997 30 K 3.8802 8.1004 116.2384 56.5908 29.7678 175.5139 31 Q 4.6442 7.0356 113.5683 55.2396 32.0335 174.2417 32 C 4.6578 8.8141 119.4213 56.7419 41.7136 173.0231 33 L 4.7207 8.0470 124.0873 52.8987 44.6711 175.5157 34 R 5.2561 8.5494 120.5655 55.7001 31.3749 175.1077 35 F 5.1667 9.1736 119.2990 55.4370 42.1790 172.8855 36 D 4.9232 8.8017 119.6892 54.2641 42.0582 174.8856 37 Y 5.2178 8.5854 124.3754 56.0650 42.2430 175.6322 38 T 4.9631 7.8012 114.4864 60.9126 69.6171 175.8114 39 G 3.7378 7.2262 110.6007 45.4365 0.0000 173.6227 40 Q 4.5422 6.7609 116.4299 55.1054 33.5020 175.7065 41 G 3.9807 9.0580 107.0325 47.6647 0.0000 173.2728 42 G 4.4653 9.1315 109.0620 45.7751 0.0000 170.7352 43 N 5.0600 8.2282 119.7243 51.0363 40.5926 174.3529 44 E 3.9115 8.6243 116.5075 59.1282 29.9115 177.6917 45 N 4.7310 7.8630 119.5216 51.8428 36.5802 173.8038 46 N 5.1348 7.2151 117.4934 52.5439 42.0050 173.5660 47 F 5.0051 9.8011 125.3927 55.8748 42.4951 176.9114 48 R 4.2377 9.0304 120.7626 57.8891 30.6394 177.1929 49 R 4.7639 7.8304 116.4125 54.0208 33.0390 176.6242 50 T 3.8796 8.6833 118.9943 67.0197 68.3630 176.1344 51 Y 3.6363 7.9890 120.9576 60.4840 39.0212 177.3167 52 D 4.3603 8.0057 119.9095 57.1766 40.7818 177.9247 53 C 2.4500 7.4350 118.5850 58.9417 43.5618 175.4871 54 Q 3.6158 7.6768 119.9457 58.8193 28.2826 178.5054 55 R 3.8941 7.6629 111.9607 57.6839 29.9437 177.1878 56 T 4.2507 7.0731 113.7533 64.8208 69.4738 174.8667 57 C 4.3865 7.9050 116.1083 56.2720 42.3753 173.7333 58 L 3.9963 7.4573 125.9832 54.8750 41.5548 175.7514 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 R 8.25 4.22 0.00 1.73 1.89 0.00 3.22 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 4 P 0.00 4.23 0.00 2.31 1.97 0.00 3.69 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 2.12 2.13 0.00 5 S 8.53 4.18 0.00 3.89 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 6 L 8.00 4.06 0.00 1.95 1.92 1.06 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 7 C 7.95 4.58 0.00 3.05 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.79 4.52 0.00 2.72 2.74 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 0.00 9 L 7.14 4.21 0.00 1.76 1.59 0.96 1.00 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 10 P 0.00 4.58 0.00 2.09 2.00 0.00 3.75 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 1.89 1.92 0.00 11 A 7.90 3.07 -0.22 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 0.00 0.00 0.00 0.00 0.00 12 D 7.93 4.70 0.00 2.58 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 13 S 8.27 4.77 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.51 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 0.00 0.00 0.00 15 S 8.10 4.60 0.00 3.95 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 16 G 7.66 3.82 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 0.00 17 T 8.16 4.54 4.20 0.00 0.00 0.00 0.00 0.00 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 18 K 8.25 4.27 0.00 1.62 1.64 0.00 1.53 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.31 7.81 19 A 8.44 5.00 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 20 E 8.97 4.84 0.00 1.99 1.86 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 2.18 2.17 0.00 21 K 8.45 5.03 0.00 1.56 1.63 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.38 7.81 22 R 8.49 4.76 0.00 0.69 1.75 0.00 3.40 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 1.33 0.00 23 I 9.22 5.38 2.17 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.21 0.98 0.00 0.00 24 Y 9.36 5.36 0.00 3.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.55 4.45 0.00 2.85 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 26 N 7.72 4.50 0.00 2.22 2.39 0.00 0.00 6.52 7.53 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 27 S 8.36 3.68 0.00 4.03 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 28 A 7.98 4.05 1.28 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 0.00 0.00 29 R 7.76 4.07 0.00 1.68 1.89 0.00 3.21 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 30 K 8.10 3.88 0.00 1.84 1.95 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.37 7.81 31 Q 7.04 4.64 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.40 7.06 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 32 C 8.81 4.66 0.00 2.84 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 33 L 8.05 4.72 0.00 1.36 1.64 0.89 0.53 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 34 R 8.55 5.26 0.00 1.92 1.93 0.00 3.27 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 35 F 9.17 5.17 0.00 3.04 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 36 D 8.80 4.92 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.59 5.22 0.00 2.44 2.55 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 0.00 0.00 0.00 0.00 38 T 7.80 4.96 4.13 0.00 0.00 0.00 0.00 0.00 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 39 G 7.23 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 0.00 0.00 0.00 0.00 40 Q 6.76 4.54 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.58 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 41 G 9.06 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 42 G 9.13 4.47 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 0.00 43 N 8.23 5.06 0.00 2.73 2.76 0.00 0.00 5.89 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 44 E 8.62 3.91 0.00 1.93 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 2.28 2.20 0.00 45 N 7.86 4.73 0.00 3.01 2.89 0.00 0.00 6.88 7.86 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 46 N 7.22 5.13 0.00 2.71 2.50 0.00 0.00 7.08 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 47 F 9.80 5.01 0.00 3.08 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 48 R 9.03 4.24 0.00 1.88 2.04 0.00 3.19 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 49 R 7.83 4.76 0.00 2.07 1.86 0.00 3.20 0.00 0.00 3.38 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 50 T 8.68 3.88 4.30 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 1.21 0.00 0.00 51 Y 7.99 3.64 0.00 3.09 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.01 4.36 0.00 2.94 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 53 C 7.43 2.45 0.00 2.28 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.68 3.62 0.00 1.60 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.64 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 55 R 7.66 3.89 0.00 1.79 1.84 0.00 3.10 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.51 0.00 56 T 7.07 4.25 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 1.33 0.00 0.00 57 C 7.91 4.39 0.00 2.19 1.51 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.46 4.00 0.00 1.36 1.47 1.07 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00