NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4804 8.1933 116.7964 58.0332 65.4691 175.1969 2 D 4.2007 8.1920 125.2051 57.0203 41.3708 176.7297 3 D 4.5798 8.7073 119.8019 57.5183 41.9081 177.9229 4 K 4.3277 8.1976 115.5707 54.3935 35.1550 177.5643 5 I 3.7851 7.9107 119.9828 64.3766 37.9318 176.9799 6 G 3.5719 8.0344 105.7812 47.8812 0.0000 175.1495 7 L 4.1501 8.1351 121.9270 57.4961 40.9629 179.7822 8 K 4.4987 8.5417 119.2880 59.7978 32.2278 178.5415 9 V 3.5585 7.9494 118.4266 66.4043 31.2521 177.7438 10 L 3.9658 8.5130 118.3789 58.1049 41.6061 178.6947 11 Y 4.2985 8.1793 119.1805 61.0700 38.4315 178.1867 12 K 3.1244 8.7856 119.3524 59.2645 32.2006 177.9999 13 L 4.0402 7.6768 119.5369 57.4884 42.0491 178.6130 14 M 3.4213 8.1339 118.7214 57.0990 32.6847 175.0053 15 D 4.5097 8.1396 126.5108 54.3490 40.7919 176.7806 16 V 4.0745 7.8120 124.6438 61.5016 32.8850 176.1924 17 D 3.8534 8.4110 117.6550 55.5156 42.0142 175.1827 18 G 3.5551 6.9007 115.4119 44.6116 0.0000 170.4708 19 D 4.6472 7.7603 118.1583 56.9028 47.3800 177.4157 20 G 4.3142 8.2363 103.3636 44.8105 0.0000 173.4755 21 K 4.4530 7.4572 118.9344 55.5159 34.7083 176.8107 22 L 4.4794 8.7888 125.8849 54.2585 41.8595 175.6352 23 T 4.4284 8.2594 115.8396 60.0576 71.1394 175.2168 24 K 3.8307 8.9033 122.1823 59.1585 32.1237 178.3872 25 E 3.9250 8.1114 117.8961 59.8833 29.6982 179.4097 26 E 4.0399 8.2273 118.7644 59.8426 29.4169 178.1799 27 V 4.0673 8.4842 119.2782 65.3159 31.4792 177.6393 28 T 4.0201 9.0381 115.8682 67.0994 68.3541 176.7164 29 S 4.1263 8.0983 116.0799 61.7889 63.0033 176.1661 30 F 4.0522 8.5099 123.0906 60.8494 39.1949 177.1513 31 F 3.8909 10.5097 116.7077 59.2214 38.5675 177.5360 32 K 3.8808 8.1716 118.5077 59.2131 31.8283 178.1467 33 K 4.1617 7.2447 118.3319 58.8876 32.9313 178.1560 34 H 4.9716 8.4782 118.8256 55.5943 27.7016 177.3294 35 G 4.2720 8.8241 112.4758 46.5118 0.0000 174.7828 36 I 3.7960 8.0471 121.1993 64.7396 38.1940 174.9571 37 E 4.1216 8.3377 119.4105 58.8935 29.3054 178.6931 38 K 3.9285 7.9419 119.2908 59.7586 32.1914 179.4248 39 V 3.5059 9.1107 119.1639 65.5255 31.3385 177.7953 40 A 3.9664 8.4764 121.3463 55.0626 18.2408 179.2331 41 E 3.8226 8.1741 117.5775 59.6791 29.7696 179.0511 42 Q 3.9976 8.1071 118.0725 58.8919 28.7267 179.0979 43 V 3.4788 8.7977 120.1819 66.1445 31.1154 177.8531 44 M 4.0145 8.4817 118.8046 58.5388 31.6437 178.7659 45 K 3.8514 8.0185 116.2786 58.2964 32.3716 179.1665 46 A 4.1580 7.8317 121.1262 55.1968 18.4641 178.4277 47 D 4.2547 8.4367 115.2573 57.1503 42.0364 178.0688 48 A 3.8632 7.5540 119.2655 52.7455 16.9136 176.0132 49 N 4.9634 8.1140 118.1177 53.8087 44.3101 175.9456 50 G 4.8611 7.9104 114.7547 45.2551 0.0000 171.9203 51 D 5.0078 6.7576 119.1686 53.4924 43.3214 175.4914 52 G 4.0667 9.5663 114.6655 45.7295 0.0000 170.7632 53 Y 5.0287 7.4723 122.1392 55.8568 41.9994 175.4175 54 I 4.2371 9.2578 122.4471 60.1461 37.2024 175.4280 55 T 4.9651 8.2069 117.0307 59.1424 70.8131 175.9051 56 L 4.6990 8.8500 123.9461 58.3859 41.5552 179.9105 57 E 4.0265 8.2053 116.7612 59.6659 29.6980 178.7727 58 E 4.1108 8.2379 120.7479 58.5702 29.1500 178.4786 59 F 4.2709 9.8759 121.2001 61.2521 39.5152 177.0245 60 L 4.2284 8.4470 118.5014 57.2038 41.3100 178.8914 61 E 4.0752 8.2917 119.0717 59.1967 29.6561 178.4869 62 F 4.1611 8.5791 117.3614 60.2810 39.0322 177.5707 63 S 4.2988 7.6073 113.1348 60.7212 62.7558 174.5330 64 L 4.2792 7.6424 126.9315 55.2842 42.0305 176.0870 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 S 8.19 4.48 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 2 D 8.19 4.20 0.00 2.74 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 3 D 8.71 4.58 0.00 2.63 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 4 K 8.20 4.33 0.00 1.57 1.60 0.00 1.30 0.00 0.00 0.61 0.00 0.00 2.36 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.54 0.98 7.81 5 I 7.91 3.79 1.95 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.25 0.93 0.00 0.00 6 G 8.03 3.57 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 0.00 0.00 0.00 7 L 8.14 4.15 0.00 1.79 1.95 1.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.54 4.50 0.00 2.24 2.18 0.00 1.71 0.00 0.00 1.54 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.80 7.81 9 V 7.95 3.56 2.33 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 1.07 0.00 0.00 1.01 0.00 0.00 10 L 8.51 3.97 0.00 1.83 1.79 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 8.18 4.30 0.00 2.89 3.09 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 12 K 8.79 3.12 0.00 1.35 1.83 0.00 1.74 0.00 0.00 1.48 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.19 1.41 7.81 13 L 7.68 4.04 0.00 1.90 1.69 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 14 M 8.13 3.42 0.00 1.81 2.19 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.21 0.00 15 D 8.14 4.51 0.00 2.70 2.42 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 16 V 7.81 4.07 1.97 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 0.95 0.00 0.00 1.03 0.00 0.00 17 D 8.41 3.85 0.00 2.60 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 18 G 6.90 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 7.76 4.65 0.00 2.46 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.24 4.31 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 0.00 0.00 0.00 21 K 7.46 4.45 0.00 0.96 1.00 0.00 0.61 0.00 0.00 1.13 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.96 0.56 7.81 22 L 8.79 4.48 0.00 0.82 1.09 1.06 0.18 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 23 T 8.26 4.43 4.36 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 1.39 0.00 0.00 24 K 8.90 3.83 0.00 1.81 1.77 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.48 7.81 25 E 8.11 3.92 0.00 2.12 2.06 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 2.44 2.49 0.00 26 E 8.23 4.04 0.00 2.10 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 0.00 2.36 2.36 0.00 27 V 8.48 4.07 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 0.52 0.00 0.00 0.89 0.00 0.00 28 T 9.04 4.02 4.39 0.00 0.00 0.00 0.00 0.00 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 29 S 8.10 4.13 0.00 4.14 4.03 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 30 F 8.51 4.05 0.00 3.32 2.93 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 31 F 10.51 3.89 0.00 3.27 3.10 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 0.00 0.00 0.00 0.00 32 K 8.17 3.88 0.00 1.91 1.92 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.63 7.81 33 K 7.24 4.16 0.00 1.67 1.67 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.41 7.81 34 H 8.48 4.97 0.00 3.38 2.75 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.82 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 0.00 0.00 0.00 0.00 36 I 8.05 3.80 2.10 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 1.03 0.00 0.00 37 E 8.34 4.12 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 38 K 7.94 3.93 0.00 1.84 1.85 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.52 7.81 39 V 9.11 3.51 2.01 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 -0.26 0.00 0.00 1.11 0.00 0.00 40 A 8.48 3.97 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 41 E 8.17 3.82 0.00 2.05 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 0.00 2.30 2.34 0.00 42 Q 8.11 4.00 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 43 V 8.80 3.48 2.16 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 0.84 0.00 0.00 0.67 0.00 0.00 44 M 8.48 4.01 0.00 2.04 2.37 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 45 K 8.02 3.85 0.00 1.88 1.88 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.60 7.81 46 A 7.83 4.16 1.32 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 0.00 0.00 0.00 47 D 8.44 4.25 0.00 2.72 2.73 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 48 A 7.55 3.86 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 49 N 8.11 4.96 0.00 2.73 2.89 0.00 0.00 7.03 7.91 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 50 G 7.91 4.86 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 0.00 51 D 6.76 5.01 0.00 2.57 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.57 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 53 Y 7.47 5.03 0.00 2.84 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 54 I 9.26 4.24 1.50 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.21 -0.32 0.00 0.00 55 T 8.21 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 1.26 0.00 0.00 56 L 8.85 4.70 0.00 1.80 1.88 0.84 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.21 4.03 0.00 2.27 2.27 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 2.44 2.47 0.00 58 E 8.24 4.11 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.47 0.00 59 F 9.88 4.27 0.00 3.35 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.45 4.23 0.00 1.83 1.76 1.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.29 4.08 0.00 2.29 2.32 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 2.40 2.40 0.00 62 F 8.58 4.16 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 63 S 7.61 4.30 0.00 4.00 4.06 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 64 L 7.64 4.28 0.00 1.77 1.73 0.93 0.91 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