NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3744 8.3044 120.3278 55.2125 33.0080 175.0014 2 K 4.1845 8.3310 122.9352 54.9807 33.3277 175.5347 3 R 4.2206 8.2212 125.3344 55.9048 31.9309 177.9590 4 T 4.4513 8.0992 110.3975 61.1018 67.8186 172.8493 5 F 4.2992 8.3526 134.6670 58.1445 45.4516 172.7676 6 Q 3.7107 10.0643 129.6375 54.8952 26.9824 170.7009 7 P 5.0680 0.0000 0.0000 61.3201 33.5596 175.2859 8 S 4.6883 8.0732 113.4733 56.1996 65.7379 174.6823 9 V 3.8378 8.1188 116.8001 63.6956 31.4525 178.3133 10 L 4.0076 7.7634 119.5067 57.7813 40.3253 177.7969 11 K 4.3261 7.6725 119.9021 58.0206 33.5319 177.8948 12 R 3.9517 7.8980 118.4120 59.4703 30.3849 178.3331 13 N 4.9082 8.9450 114.3740 53.4016 37.0184 176.3096 14 R 4.4553 7.3839 115.0957 57.0416 31.1913 176.6098 15 S 4.7294 8.4151 113.5985 56.8377 62.5894 173.4302 16 H 4.9935 8.2308 116.9733 56.4040 34.5232 173.3833 17 G 4.4185 8.1834 110.8977 46.0472 0.0000 176.8350 18 F 3.8083 10.5562 118.7711 57.8494 39.5781 178.5368 19 R 3.8914 9.5155 121.5867 60.3222 29.7894 177.9852 20 A 4.0834 8.5164 121.2529 55.1706 18.1631 179.6111 21 R 3.8975 8.0888 116.0022 59.5439 29.8151 177.7611 22 M 4.5811 7.9929 115.6783 54.5708 33.1031 176.4609 23 A 4.8037 7.8117 122.0314 50.7007 19.4725 175.9980 24 T 4.4619 7.0659 116.9452 62.8332 72.4957 174.6195 25 K 4.1592 7.9546 122.1257 59.1128 32.7544 179.2968 26 N 4.0058 8.2059 118.3062 56.4849 38.4081 176.3997 27 G 3.5415 7.6270 106.0711 46.8340 0.0000 175.3408 28 R 3.8501 8.1972 116.9676 59.0159 30.4927 179.2046 29 Q 3.8476 9.3411 118.9050 59.0585 28.9016 179.8866 30 V 3.6260 8.7777 120.7764 65.7437 31.5520 177.6818 31 L 3.9227 8.1723 118.1763 58.6538 41.5422 178.9401 32 A 3.9687 8.2197 119.7197 55.4884 18.0263 179.1763 33 R 3.9580 8.0041 115.3729 58.7234 29.6874 177.7063 34 R 4.1543 8.3963 119.0726 56.3729 30.1177 179.7329 35 R 3.5225 7.7456 121.8612 59.3463 33.3161 178.2491 36 A 4.5123 8.4612 126.2661 51.3118 16.9542 183.4298 37 K 3.7397 7.7482 115.4310 58.1707 33.9796 174.3219 38 G 4.0283 6.5626 113.9239 44.3969 0.0000 173.8819 39 R 3.6713 9.2451 122.3715 59.1978 30.3001 179.0455 40 A 3.4504 7.5164 115.3606 52.3624 16.1172 175.6891 41 R 3.9815 7.8652 128.0235 56.2953 30.8725 175.8334 42 L 4.5485 7.6149 122.6740 53.8415 44.0499 176.3545 43 T 4.5111 8.4073 115.4008 61.6716 68.7956 175.0083 44 V 3.9198 7.0752 113.8495 62.3099 38.6228 174.2478 45 S 3.8925 7.0312 114.8366 57.4279 63.1969 174.6539 46 K 4.2780 9.0650 123.5320 57.5551 32.0484 176.5459 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 4.37 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 2 K 8.33 4.18 0.00 1.74 1.68 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.76 7.81 3 R 8.22 4.22 0.00 1.90 1.90 0.00 3.44 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 4 T 8.10 4.45 4.26 0.00 0.00 0.00 0.00 0.00 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 5 F 8.35 4.30 0.00 3.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 10.06 3.71 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 7 P 0.00 5.07 0.00 2.41 2.85 0.00 3.88 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 8 S 8.07 4.69 0.00 3.97 3.96 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 0.00 0.00 0.00 9 V 8.12 3.84 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 0.97 0.00 0.00 0.95 0.00 0.00 10 L 7.76 4.01 0.00 1.77 1.79 0.92 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.67 4.33 0.00 1.80 1.94 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.46 7.81 12 R 7.90 3.95 0.00 2.21 2.01 0.00 3.32 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 13 N 8.94 4.91 0.00 2.85 3.05 0.00 0.00 7.00 7.16 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 14 R 7.38 4.46 0.00 2.04 1.96 0.00 3.42 0.00 0.00 3.12 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.00 15 S 8.42 4.73 0.00 3.71 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 16 H 8.23 4.99 0.00 3.20 3.32 0.00 5.76 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.18 4.42 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 0.00 18 F 10.56 3.81 0.00 3.04 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.52 3.89 0.00 1.93 2.09 0.00 3.06 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.86 0.00 20 A 8.52 4.08 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 21 R 8.09 3.90 0.00 2.07 2.10 0.00 3.32 0.00 0.00 3.38 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.85 0.00 22 M 7.99 4.58 0.00 1.99 2.31 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.72 0.00 23 A 7.81 4.80 1.23 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 0.00 0.00 0.00 24 T 7.07 4.46 4.35 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 1.23 0.00 0.00 25 K 7.95 4.16 0.00 1.86 1.76 0.00 1.57 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.52 7.81 26 N 8.21 4.01 0.00 2.71 2.90 0.00 0.00 6.83 7.65 0.00 0.00 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 G 7.63 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.20 3.85 0.00 2.24 1.97 0.00 3.30 0.00 0.00 3.17 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 29 Q 9.34 3.85 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 30 V 8.78 3.63 2.28 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 1.05 0.00 0.00 0.98 0.00 0.00 31 L 8.17 3.92 0.00 1.81 1.75 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.22 3.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.00 3.96 0.00 1.93 2.08 0.00 3.06 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.91 0.00 34 R 8.40 4.15 0.00 1.91 1.82 0.00 3.16 0.00 0.00 3.11 8.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 35 R 7.75 3.52 0.00 2.06 1.81 0.00 3.29 0.00 0.00 3.21 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 36 A 8.46 4.51 1.01 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 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.75 3.74 0.00 1.96 1.96 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.47 7.81 38 G 6.56 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 0.00 0.00 0.00 39 R 9.25 3.67 0.00 1.78 2.03 0.00 3.25 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 40 A 7.52 3.45 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.87 3.98 0.00 1.80 1.84 0.00 3.30 0.00 0.00 3.13 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 42 L 7.61 4.55 0.00 1.49 1.48 0.83 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.41 4.51 4.25 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 1.20 0.00 0.00 44 V 7.08 3.92 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 0.79 0.00 0.00 0.64 0.00 0.00 45 S 7.03 3.89 0.00 3.57 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 9.06 4.28 0.00 1.99 1.93 0.00 1.62 0.00 0.00 1.81 0.00 0.00 3.24 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.66 7.81