NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 A 4.3177 8.1114 122.4653 51.9789 21.0899 175.2437 23 G 3.8042 8.2698 105.2174 44.4532 0.0000 171.3061 24 L 4.4518 8.5785 127.6174 54.1592 44.0846 175.5006 25 S 4.4857 7.6770 115.1193 57.7570 65.0893 173.4893 26 F 4.7861 9.0802 125.3366 55.7633 40.9478 175.1848 27 H 4.9249 8.9257 120.9968 54.9470 28.1083 174.7821 28 V 3.9944 8.5665 126.5041 62.1913 29.9020 176.2681 29 E 4.2918 8.4177 121.4277 57.1285 30.1112 177.9212 30 D 4.4140 7.9702 118.6327 56.1445 41.7550 175.3708 31 M 4.1978 7.8496 118.7071 55.9102 30.7368 175.0970 32 T 4.4901 8.3347 117.1187 60.5438 71.3024 172.6730 33 C 4.0347 8.7713 123.3219 57.2681 30.3873 174.1210 34 G 3.7328 8.2015 105.8005 46.9504 0.0000 175.6408 35 H 4.3171 7.9032 118.7680 59.1622 28.6522 177.0959 36 C 4.3016 7.6793 115.6007 62.2509 28.1596 176.0211 37 A 4.0395 8.2116 122.7524 54.7357 17.8799 179.9298 38 G 3.5272 8.0211 104.7400 48.0018 0.0000 176.4231 39 V 3.6929 7.3504 121.6845 64.2327 31.4800 178.6709 40 I 3.5428 7.0747 120.5780 64.0674 36.9502 178.3107 41 K 4.0010 7.9431 119.4451 59.6391 31.9272 179.7119 42 G 3.6070 8.2879 105.6110 47.4187 0.0000 175.6077 43 A 3.9682 7.9894 123.0267 55.2792 18.4104 179.8977 44 I 3.6997 7.5648 117.6721 64.4539 37.0224 178.3875 45 E 3.9274 8.0418 119.0557 59.2007 29.5180 178.7005 46 K 4.1667 7.7298 117.3630 59.5582 32.2365 179.2563 47 T 4.3122 7.5314 114.5849 64.8118 69.2251 174.6017 48 V 4.1277 7.9096 122.2336 59.7707 31.7467 171.6830 49 P 4.1262 0.0000 0.0000 66.6346 30.6033 176.1539 50 G 3.7275 8.7806 110.5187 44.8771 0.0000 172.3641 51 A 4.4469 7.8594 122.6503 51.0236 19.0520 178.0896 52 A 4.2443 8.8197 125.7397 52.3108 18.5371 175.9487 53 V 4.5007 8.1103 114.1082 61.6604 33.2985 175.9509 54 H 4.6393 9.2029 124.7895 54.7613 32.3748 171.5343 55 A 4.8915 8.5699 128.1239 50.8276 19.8397 175.4682 56 D 4.7955 8.7602 123.2757 52.3864 42.5539 175.6934 57 P 4.2370 0.0000 0.0000 65.4702 31.7479 177.6846 58 A 4.1515 8.1143 120.0767 54.5144 18.6470 178.1131 59 S 4.3401 8.3389 108.8909 58.2603 63.1961 174.1509 60 R 3.9901 8.1795 118.3428 57.6991 28.0725 175.2029 61 T 5.0572 7.8022 112.9206 61.7832 72.4123 173.3947 62 V 4.6900 8.8924 126.7715 61.6567 33.1066 174.4917 63 V 5.3086 8.3861 122.1135 59.2844 34.0374 175.9494 64 V 5.2390 7.7796 117.0220 58.6553 34.9628 175.1326 65 G 4.1324 8.8434 113.1546 46.0247 0.0000 173.9868 66 G 4.1318 8.8669 108.7761 45.1290 0.0000 174.0545 67 V 4.5364 7.3875 111.5507 59.6569 34.7337 175.5171 68 S 4.6635 8.5220 117.3964 59.2533 64.9038 175.7579 69 D 4.7150 7.8073 121.5444 52.9553 37.8470 176.1942 70 A 4.2137 8.0722 125.1714 55.0635 19.0479 179.1246 71 A 4.0045 8.0246 118.8079 55.4072 18.4119 179.1778 72 H 4.0522 8.1983 116.2193 59.5727 30.0906 177.3139 73 I 3.6635 7.8988 121.3642 64.4105 37.0075 178.2289 74 A 3.5559 8.0254 121.4439 55.0835 18.2229 179.5609 75 E 3.8800 7.9892 116.5763 59.4242 29.3603 179.7111 76 I 3.6112 7.3373 119.9186 64.5271 37.1580 178.4610 77 I 3.6973 7.5596 119.3400 64.0498 37.7363 177.7080 78 T 4.7762 8.1324 115.1170 64.2210 66.9242 176.2373 79 A 4.0498 7.8014 121.7141 54.5630 18.4590 178.7241 80 A 4.2772 7.5414 117.8327 53.0282 18.6129 178.1432 81 G 3.7250 8.0981 105.4231 45.6801 0.0000 172.9710 82 Y 4.6311 7.7322 115.9961 55.6701 40.9672 175.3703 83 T 4.6004 8.4113 112.9376 60.0626 69.1036 173.8642 84 P 4.4693 0.0000 0.0000 61.8544 29.8293 176.1698 85 E 4.2031 8.2398 125.2476 57.4003 29.4796 176.6873 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 22 A 8.11 4.32 1.30 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 23 G 8.27 3.80 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 0.00 0.00 0.00 24 L 8.58 4.45 0.00 1.60 1.10 0.72 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.68 4.49 0.00 3.75 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 26 F 9.08 4.79 0.00 2.94 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 H 8.93 4.92 0.00 3.14 3.37 0.00 5.71 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.57 3.99 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 1.09 0.00 0.00 1.11 0.00 0.00 29 E 8.42 4.29 0.00 2.16 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 2.32 2.29 0.00 30 D 7.97 4.41 0.00 2.69 2.83 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 31 M 7.85 4.20 0.00 2.19 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 32 T 8.33 4.49 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 1.31 0.00 0.00 33 C 8.77 4.03 0.00 3.23 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.20 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 0.00 0.00 0.00 35 H 7.90 4.32 0.00 3.23 3.34 0.00 5.63 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 36 C 7.68 4.30 0.00 3.10 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 37 A 8.21 4.04 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 38 G 8.02 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.35 3.69 2.13 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 0.97 0.00 0.00 0.99 0.00 0.00 40 I 7.07 3.54 1.81 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.35 0.76 0.00 0.00 41 K 7.94 4.00 0.00 1.98 1.84 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.62 7.81 42 G 8.29 3.61 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 0.00 0.00 0.00 43 A 7.99 3.97 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 44 I 7.56 3.70 1.87 0.00 0.00 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 1.35 0.75 0.93 0.00 0.00 45 E 8.04 3.93 0.00 2.05 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 2.32 2.35 0.00 46 K 7.73 4.17 0.00 1.90 1.85 0.00 1.64 0.00 0.00 1.93 0.00 0.00 3.11 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.52 7.81 47 T 7.53 4.31 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 48 V 7.91 4.13 2.20 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 1.03 0.00 0.00 1.02 0.00 0.00 49 P 0.00 4.13 0.00 2.08 2.03 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 50 G 8.78 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 0.00 0.00 0.00 51 A 7.86 4.45 1.35 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 0.00 0.00 52 A 8.82 4.24 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.11 4.50 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 0.94 0.00 0.00 1.02 0.00 0.00 54 H 9.20 4.64 0.00 3.18 3.09 0.00 5.59 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 55 A 8.57 4.89 1.22 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 56 D 8.76 4.80 0.00 2.73 2.53 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 0.00 0.00 0.00 0.00 57 P 0.00 4.24 0.00 2.08 2.20 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 58 A 8.11 4.15 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 59 S 8.34 4.34 0.00 3.84 3.88 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 60 R 8.18 3.99 0.00 2.16 2.10 0.00 3.26 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 61 T 7.80 5.06 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 62 V 8.89 4.69 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 1.00 0.00 0.00 0.91 0.00 0.00 63 V 8.39 5.31 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 0.62 0.00 0.00 1.00 0.00 0.00 64 V 7.78 5.24 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 0.70 0.00 0.00 1.10 0.00 0.00 65 G 8.84 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 0.00 0.00 0.00 0.00 66 G 8.87 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 0.00 0.00 0.00 0.00 67 V 7.39 4.54 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 0.77 0.00 0.00 1.03 0.00 0.00 68 S 8.52 4.66 0.00 3.84 3.89 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 0.00 0.00 0.00 69 D 7.81 4.72 0.00 2.80 2.67 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 0.00 0.00 0.00 70 A 8.07 4.21 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.02 4.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 H 8.20 4.05 0.00 3.28 3.52 0.00 5.88 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 73 I 7.90 3.66 2.05 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.86 0.93 0.00 0.00 74 A 8.03 3.56 1.35 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 0.00 0.00 75 E 7.99 3.88 0.00 2.12 1.95 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 2.55 2.47 0.00 76 I 7.34 3.61 1.91 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 1.29 0.94 0.90 0.00 0.00 77 I 7.56 3.70 1.70 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.25 0.61 0.00 0.00 78 T 8.13 4.78 4.28 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 1.23 0.00 0.00 79 A 7.80 4.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 7.54 4.28 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.10 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 0.00 0.00 0.00 82 Y 7.73 4.63 0.00 3.11 2.79 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 0.00 0.00 0.00 0.00 83 T 8.41 4.60 4.46 0.00 0.00 0.00 0.00 0.00 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 84 P 0.00 4.47 0.00 1.85 1.69 0.00 3.73 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.04 0.00 85 E 8.24 4.20 0.00 1.86 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 2.46 2.19 0.00