NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3806 8.3049 118.1946 54.3878 32.5213 174.8026 2 K 3.8700 8.4867 119.1711 56.1304 32.0228 175.5453 3 K 4.5284 9.2319 124.8917 54.9867 34.7671 176.0166 4 R 4.7181 8.0276 120.3499 54.8052 32.4456 175.6774 5 L 4.4710 7.9288 117.6509 55.2522 42.8102 174.3166 6 T 4.5442 8.3776 117.8887 61.9271 70.1755 173.8592 7 I 4.7652 8.0285 118.0011 59.2024 41.0601 174.1832 8 T 4.6803 8.2152 109.3112 59.7833 71.1238 173.2633 9 L 4.8472 8.1351 123.1438 51.9768 45.8745 177.0528 10 S 4.2611 8.4422 117.4739 58.1918 64.6393 174.9949 11 E 3.8527 8.8811 126.3991 60.1995 29.2726 178.7315 12 S 4.0028 8.2578 111.7211 61.8641 62.1237 175.9764 13 V 3.5477 7.8083 120.0446 66.2157 31.3279 177.5818 14 L 3.9459 8.1083 119.9263 58.6803 41.7587 178.4294 15 E 4.1128 8.3877 117.8483 59.7685 29.5107 178.7024 16 N 4.1372 8.1748 116.3631 57.2701 38.8690 175.8668 17 L 3.8432 8.6861 121.3276 58.4946 42.0975 178.3675 18 E 3.8741 9.0976 119.6220 59.4961 29.5037 179.1141 19 K 3.8975 8.6047 119.4051 59.7666 32.3308 178.2702 20 M 3.9676 8.7004 118.9532 58.5252 31.9261 178.6147 21 A 3.9590 8.2541 120.7468 55.2440 18.4668 179.2903 22 R 3.8321 7.9718 117.0458 59.9886 29.8428 178.4783 23 E 4.0231 8.2117 116.7450 59.3175 29.5090 178.3036 24 M 4.4860 8.0176 115.9854 54.0738 32.2791 176.2298 25 G 3.9974 7.6589 106.6051 46.7355 0.0000 173.8723 26 L 4.7786 8.0074 118.1136 52.2061 44.7596 177.4045 27 S 4.5336 8.1626 115.6714 57.6030 65.6004 175.4084 28 K 4.0083 8.4529 121.5447 59.7459 31.6931 179.8039 29 S 4.1096 8.0263 114.6829 61.3820 62.7624 176.3198 30 A 3.9383 8.3214 123.7657 55.4066 18.2197 178.9388 31 M 3.8896 8.4197 117.0305 59.1254 32.1011 178.5227 32 I 3.6204 7.8014 119.3229 64.4454 37.2675 177.9155 33 S 4.1580 8.2716 114.3417 61.8878 62.0485 176.1158 34 V 3.6924 8.5513 120.5787 66.2993 31.1349 177.4880 35 A 4.0521 8.6214 120.3562 55.4524 17.9687 179.4520 36 L 4.1248 8.5006 116.7109 58.0431 42.0675 179.0900 37 E 4.1194 8.5527 118.5800 59.6543 29.3068 178.7691 38 N 4.1847 8.2623 115.7932 57.3257 39.0735 175.5808 39 Y 4.1236 8.7902 121.3586 60.4090 39.2738 177.7813 40 K 4.2866 7.6686 121.6114 55.9093 30.0606 176.4017 41 K 3.8471 10.7800 124.7915 56.6534 34.2020 174.7000 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 M 8.30 4.38 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 2 K 8.49 3.87 0.00 1.85 1.82 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.52 7.81 3 K 9.23 4.53 0.00 1.73 1.72 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.38 7.81 4 R 8.03 4.72 0.00 1.77 1.82 0.00 3.41 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 5 L 7.93 4.47 0.00 1.70 1.58 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.38 4.54 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 1.21 0.00 0.00 7 I 8.03 4.77 1.86 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 1.46 0.65 0.90 0.00 0.00 8 T 8.22 4.68 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 1.20 0.00 0.00 9 L 8.14 4.85 0.00 1.58 1.53 0.91 0.89 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 10 S 8.44 4.26 0.00 3.85 3.77 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 11 E 8.88 3.85 0.00 2.06 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 2.39 2.70 0.00 12 S 8.26 4.00 0.00 3.92 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.81 3.55 2.19 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 0.92 0.00 0.00 0.92 0.00 0.00 14 L 8.11 3.95 0.00 1.76 1.85 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.39 4.11 0.00 2.25 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 2.34 2.39 0.00 16 N 8.17 4.14 0.00 2.76 3.07 0.00 0.00 6.93 5.94 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 17 L 8.69 3.84 0.00 1.78 1.94 0.92 0.97 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 18 E 9.10 3.87 0.00 2.22 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 2.36 0.00 19 K 8.60 3.90 0.00 1.81 2.00 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.48 7.81 20 M 8.70 3.97 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.99 2.59 0.00 21 A 8.25 3.96 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.97 3.83 0.00 2.15 2.10 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 23 E 8.21 4.02 0.00 2.12 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 2.35 2.53 0.00 24 M 8.02 4.49 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 25 G 7.66 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 0.00 0.00 0.00 26 L 8.01 4.78 0.00 1.59 1.56 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.16 4.53 0.00 4.04 3.99 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 28 K 8.45 4.01 0.00 1.82 1.90 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.53 7.81 29 S 8.03 4.11 0.00 3.86 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 30 A 8.32 3.94 1.31 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 31 M 8.42 3.89 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.66 0.00 32 I 7.80 3.62 2.04 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 1.39 0.88 0.90 0.00 0.00 33 S 8.27 4.16 0.00 3.86 4.09 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 34 V 8.55 3.69 2.30 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 1.03 0.00 0.00 1.00 0.00 0.00 35 A 8.62 4.05 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 36 L 8.50 4.12 0.00 1.89 1.77 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.55 4.12 0.00 2.11 2.03 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 2.35 2.53 0.00 38 N 8.26 4.18 0.00 2.73 3.12 0.00 0.00 7.26 7.09 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 39 Y 8.79 4.12 0.00 3.09 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 40 K 7.67 4.29 0.00 1.87 1.77 0.00 1.84 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.61 7.81 41 K 10.78 3.85 0.00 1.73 1.91 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.18 1.10 7.81