NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4429 8.0176 111.0828 61.8446 70.6996 172.1264 2 T 4.9673 8.2921 113.6758 59.8254 71.4103 171.5927 3 Y 5.7162 9.6990 122.1651 55.4417 42.4557 175.9439 4 K 5.4858 9.0262 120.0723 54.7641 36.7715 174.7883 5 L 5.7491 9.0101 123.9985 52.3701 45.5765 175.1744 6 I 4.4352 8.3007 126.8211 59.8671 39.0900 174.3031 7 L 4.5852 8.6225 128.8501 53.3274 43.4946 175.5968 8 N 4.7862 8.8848 122.9873 51.8490 41.2240 173.1600 9 L 4.9267 8.2453 127.3491 53.3822 42.9716 176.6571 10 K 4.0759 8.7652 117.6874 59.9754 32.2305 177.6555 11 Q 4.4655 7.6326 117.0267 51.0441 29.9015 173.7662 12 A 4.5573 6.9415 126.8320 51.7041 21.4020 176.0271 13 K 5.0332 8.2997 121.5376 53.8652 34.5863 174.8149 14 E 4.7926 8.7297 128.1146 54.2824 33.2027 173.9690 15 E 5.1113 8.7250 123.3841 54.4906 32.1439 175.0488 16 A 4.9280 8.6521 126.5543 50.1895 21.6321 175.4165 17 I 5.8731 8.1119 113.4056 59.5583 41.4168 174.0524 18 K 4.3361 8.5849 120.2282 55.5733 35.3759 173.2884 19 E 5.0946 8.8619 125.0989 54.9800 30.8056 174.6967 20 A 4.6992 8.9794 125.6230 49.9827 23.0866 175.3893 21 V 4.1581 8.0827 109.4381 61.0589 31.7874 176.1043 22 D 4.4493 7.4271 117.9598 53.5751 44.5859 174.6651 23 A 3.9078 8.2447 117.9998 53.7985 20.1852 179.1697 24 G 3.3831 8.0322 103.7068 48.5873 0.0000 175.5683 25 T 4.0141 7.6843 116.5257 65.7262 68.6445 176.8314 26 A 3.5214 7.1746 122.5042 54.5364 18.3992 178.9687 27 E 3.5269 8.5043 118.6191 59.3405 29.6538 179.0078 28 K 3.7095 7.7677 117.9483 59.7504 32.1343 178.7950 29 Y 4.0144 7.8332 119.5882 60.6473 38.6791 177.7620 30 F 4.6011 8.8786 119.1772 60.6654 39.0508 177.4757 31 K 3.9492 9.1289 120.2076 59.6901 31.7629 178.8238 32 L 3.9844 7.6735 119.4289 57.5713 41.5712 179.1303 33 I 3.6978 7.5595 117.8891 63.6300 37.8702 177.4491 34 A 3.8810 8.7365 122.6698 55.2991 18.0505 179.2319 35 N 4.7347 8.4719 115.1460 55.9111 38.8014 177.4142 36 A 4.1132 7.7006 121.0851 54.2517 18.4707 178.8854 37 K 4.3495 7.6766 115.9160 57.6386 33.5549 175.9390 38 T 4.7325 8.7211 108.5642 61.2015 71.8375 174.5432 39 V 4.3105 7.5208 113.2871 59.8324 32.5468 174.0569 40 E 4.7806 7.4956 115.9874 54.4688 32.2602 175.4242 41 G 4.0706 8.3741 114.4678 46.4378 0.0000 171.5104 42 V 4.4062 8.1464 120.7353 60.7732 32.6336 175.0339 43 W 4.7313 9.0138 129.4503 57.1027 29.4364 175.8681 44 T 5.0476 9.5646 114.7535 60.5563 72.5948 172.1084 45 Y 5.1948 8.4724 122.0245 56.2319 41.8775 173.9911 46 K 4.1271 8.7211 127.0490 55.0363 34.0162 175.4461 47 D 4.5341 8.4543 125.2157 53.4630 41.1844 175.8395 48 E 5.7309 7.4992 134.8431 57.2435 28.1883 177.9223 49 I 4.1709 7.0993 111.2874 58.6958 38.2207 174.0252 50 K 3.7758 7.8974 124.6439 57.1536 28.4780 173.7216 51 T 5.2484 7.2753 111.6831 60.1031 72.6003 173.0004 52 F 5.6419 9.9405 121.9149 56.6381 43.3222 174.2037 53 T 5.0150 9.5184 116.8020 62.2564 73.6804 173.9613 54 V 5.1174 8.7923 123.2406 59.2244 34.0168 173.8221 55 T 4.6431 8.3361 117.0620 60.0810 70.8893 174.3902 56 E 4.2843 8.7205 126.6623 56.1391 29.2974 175.4300 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 1 T 8.02 4.44 4.02 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 0.00 0.00 0.00 1.16 0.00 0.00 2 T 8.29 4.97 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 1.23 0.00 0.00 3 Y 9.70 5.72 0.00 2.74 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 4 K 9.03 5.49 0.00 1.77 1.74 0.00 1.63 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.51 7.81 5 L 9.01 5.75 0.00 0.57 0.46 0.66 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.30 4.44 1.81 0.00 0.00 0.83 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 0.80 0.86 0.00 0.00 7 L 8.62 4.59 0.00 1.64 1.49 0.80 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.88 4.79 0.00 2.73 2.62 0.00 0.00 6.37 6.66 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 9 L 8.25 4.93 0.00 1.67 1.64 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.77 4.08 0.00 1.87 2.03 0.00 1.53 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.50 7.81 11 Q 7.63 4.47 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.08 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 12 A 6.94 4.56 1.25 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 0.00 0.00 0.00 13 K 8.30 5.03 0.00 1.69 1.65 0.00 1.52 0.00 0.00 2.26 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.35 7.81 14 E 8.73 4.79 0.00 2.05 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 15 E 8.72 5.11 0.00 1.83 1.80 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 2.15 2.24 0.00 16 A 8.65 4.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.11 5.87 2.15 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.91 1.02 0.00 0.00 18 K 8.58 4.34 0.00 1.29 1.38 0.00 0.61 0.00 0.00 0.97 0.00 0.00 2.67 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.80 1.09 7.81 19 E 8.86 5.09 0.00 2.01 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 2.16 2.28 0.00 20 A 8.98 4.70 1.13 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 0.00 0.00 0.00 21 V 8.08 4.16 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 0.72 0.00 0.00 0.94 0.00 0.00 22 D 7.43 4.45 0.00 2.56 2.51 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 23 A 8.24 3.91 1.37 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 0.00 0.00 0.00 24 G 8.03 3.38 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 0.00 25 T 7.68 4.01 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 1.16 0.00 0.00 26 A 7.17 3.52 0.20 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 0.00 0.00 0.00 27 E 8.50 3.53 0.00 1.70 1.77 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 2.15 2.14 0.00 28 K 7.77 3.71 0.00 2.03 1.86 0.00 1.83 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.40 7.81 29 Y 7.83 4.01 0.00 3.00 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 30 F 8.88 4.60 0.00 3.28 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 31 K 9.13 3.95 0.00 2.00 1.98 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.57 7.81 32 L 7.67 3.98 0.00 1.66 1.57 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.56 3.70 1.65 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.16 0.91 0.00 0.00 34 A 8.74 3.88 1.37 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 0.00 0.00 0.00 35 N 8.47 4.73 0.00 3.03 2.93 0.00 0.00 7.14 7.42 0.00 0.00 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 A 7.70 4.11 1.33 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 37 K 7.68 4.35 0.00 1.91 1.82 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.57 7.81 38 T 8.72 4.73 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 1.18 0.00 0.00 39 V 7.52 4.31 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 0.74 0.00 0.00 0.94 0.00 0.00 40 E 7.50 4.78 0.00 1.93 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 2.10 2.21 0.00 41 G 8.37 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 0.00 0.00 0.00 42 V 8.15 4.41 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 1.02 0.00 0.00 1.00 0.00 0.00 43 W 9.01 4.73 0.00 3.25 3.27 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 0.00 44 T 9.56 5.05 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 1.31 0.00 0.00 45 Y 8.47 5.19 0.00 3.00 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 46 K 8.72 4.13 0.00 1.34 1.67 0.00 1.64 0.00 0.00 1.51 0.00 0.00 2.73 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.24 1.38 7.81 47 D 8.45 4.53 0.00 2.71 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 48 E 7.50 5.73 0.00 2.11 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 1.85 1.91 0.00 49 I 7.10 4.17 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.60 0.85 0.00 0.00 50 K 7.90 3.78 0.00 1.59 1.36 0.00 1.16 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.59 1.52 7.81 51 T 7.28 5.25 4.32 0.00 0.00 0.00 0.00 0.00 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 52 F 9.94 5.64 0.00 3.12 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 53 T 9.52 5.02 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 1.21 0.00 0.00 54 V 8.79 5.12 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 0.28 0.00 0.00 0.48 0.00 0.00 55 T 8.34 4.64 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 1.18 0.00 0.00 56 E 8.72 4.28 0.00 2.24 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 2.25 2.25 0.00