NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4785 8.3049 120.3483 55.4547 33.0656 174.7554 2 K 4.2967 8.0174 123.4977 55.3449 35.6379 174.3895 3 S 4.1379 9.8401 116.4963 62.8574 63.8297 175.6813 4 I 3.8721 7.8748 118.6807 62.7460 37.2227 177.1376 5 G 3.9027 7.5682 103.0161 46.3568 0.0000 173.2720 6 V 4.4374 7.8045 111.9102 58.8686 34.3630 175.4834 7 V 4.4186 8.2936 123.3996 59.8310 33.4743 175.1513 8 R 4.6592 8.3058 120.4530 54.3077 32.9715 175.2521 9 K 4.5028 8.1857 118.4414 54.1469 34.2115 176.7517 10 V 3.6734 8.4089 123.8585 62.9285 31.2705 174.2830 11 D 4.2702 8.1275 126.4666 56.9189 41.4986 175.9880 12 E 4.8436 7.7603 117.8045 57.6356 37.4300 177.0155 13 L 4.1381 8.2456 117.9359 56.6783 41.9161 178.1236 14 G 4.5547 7.8876 116.2712 45.9433 0.0000 172.8849 15 R 3.9994 7.4924 121.8007 56.2768 30.4976 175.7903 16 I 4.7431 7.9713 114.8981 59.3172 40.9172 174.1741 17 V 4.2368 8.1299 119.6435 60.1811 31.9999 175.4252 18 M 4.3655 8.3841 124.9285 53.6790 33.0907 174.6012 19 P 4.5881 0.0000 0.0000 61.9357 32.9372 177.0013 20 I 3.6327 8.3385 118.9110 64.4606 37.6240 177.8976 21 E 4.2481 8.2051 118.8324 58.9200 29.2321 178.8609 22 L 3.9961 8.1460 121.0850 58.0824 42.1456 179.0363 23 R 3.9843 7.8900 117.5297 59.2432 29.7699 179.0585 24 R 3.9728 8.3529 117.3344 58.6710 30.2407 178.3474 25 A 4.1632 7.8456 120.0521 55.7048 18.5315 177.8809 26 L 4.1378 7.9202 115.9615 54.2322 42.2899 175.8380 27 D 4.8808 7.4991 122.3589 54.4338 43.8065 176.0779 28 I 4.2889 8.1939 119.6820 60.2825 37.8134 175.4344 29 A 4.4916 9.2493 128.6806 53.7948 20.1094 176.1828 30 I 4.4220 7.2792 114.0743 61.6335 44.3999 174.5046 31 K 4.4428 8.1192 116.0656 58.1545 36.6207 179.0186 32 D 4.1481 8.4619 113.2019 54.5144 41.0882 176.9659 33 S 4.6343 8.5207 120.9304 58.6364 67.5877 174.0868 34 I 4.8107 8.3709 124.3327 60.1129 40.2692 173.7720 35 E 4.1035 9.5081 129.3084 54.3394 31.6275 174.8061 36 F 5.7957 7.7369 124.0604 56.0535 42.1818 174.6704 37 F 4.9390 9.4191 123.5531 56.4596 42.2822 173.9342 38 V 4.6153 8.0816 125.7934 60.6679 33.1514 175.4226 39 D 4.5778 9.1050 123.4213 52.8091 42.8925 175.6867 40 G 4.0668 8.9738 118.2553 45.2246 0.0000 171.7112 41 D 4.8119 8.7592 122.5367 52.1642 42.2442 176.8192 42 K 4.5799 8.1290 120.3429 55.7191 35.4137 175.2538 43 I 5.0770 8.1714 120.1022 59.5343 40.6405 175.3739 44 I 4.5207 9.2248 126.7597 59.7197 39.7196 174.3577 45 L 5.4709 8.6270 127.7427 53.1182 43.2528 176.2589 46 K 4.7084 9.0279 121.8222 55.1830 36.3169 175.7412 47 K 4.8029 8.5780 122.1841 56.2807 33.0832 176.3920 48 Y 4.2348 8.5440 122.4820 60.1483 39.1783 176.2236 49 K 3.8528 8.4167 119.0235 59.1416 32.0554 175.6414 50 P 4.3190 0.0000 0.0000 62.0818 29.7369 174.7957 51 H 4.1317 8.6383 122.8891 56.1957 30.5185 174.3447 52 G 4.2312 7.9928 119.7027 44.5237 0.0000 172.0369 53 V 3.7028 8.0728 122.0394 61.8224 32.2809 176.1631 54 C 4.4890 8.3194 119.9706 60.2977 29.1036 173.7527 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 4.48 0.00 1.99 2.04 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 2.48 2.57 0.00 2 K 8.02 4.30 0.00 1.94 1.67 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.52 7.81 3 S 9.84 4.14 0.00 3.85 3.94 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 0.00 0.00 0.00 0.00 4 I 7.87 3.87 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.48 0.91 0.00 0.00 5 G 7.57 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 6 V 7.80 4.44 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 0.86 0.00 0.00 0.93 0.00 0.00 7 V 8.29 4.42 2.07 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 0.71 0.00 0.00 0.92 0.00 0.00 8 R 8.31 4.66 0.00 1.74 1.83 0.00 3.18 0.00 0.00 3.44 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 9 K 8.19 4.50 0.00 1.69 1.69 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.31 7.81 10 V 8.41 3.67 2.07 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 0.71 0.00 0.00 0.96 0.00 0.00 11 D 8.13 4.27 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 12 E 7.76 4.84 0.00 1.95 1.91 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 2.22 2.33 0.00 13 L 8.25 4.14 0.00 1.64 1.72 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.89 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.49 4.00 0.00 1.89 1.88 0.00 3.09 0.00 0.00 3.40 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 16 I 7.97 4.74 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.62 0.94 0.00 0.00 17 V 8.13 4.24 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 0.86 0.00 0.00 0.93 0.00 0.00 18 M 8.38 4.37 0.00 2.05 2.05 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 2.61 2.48 0.00 19 P 0.00 4.59 0.00 2.28 2.17 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 20 I 8.34 3.63 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.70 0.92 0.00 0.00 21 E 8.21 4.25 0.00 2.02 1.99 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 2.40 2.32 0.00 22 L 8.15 4.00 0.00 1.72 1.92 0.97 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.89 3.98 0.00 2.08 2.25 0.00 3.19 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.90 0.00 24 R 8.35 3.97 0.00 1.89 1.99 0.00 3.18 0.00 0.00 3.42 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 25 A 7.85 4.16 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 26 L 7.92 4.14 0.00 1.68 1.58 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.50 4.88 0.00 2.60 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.19 4.29 1.89 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 1.27 0.59 0.93 0.00 0.00 29 A 9.25 4.49 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 30 I 7.28 4.42 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.88 0.92 0.00 0.00 31 K 8.12 4.44 0.00 1.72 1.76 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.44 7.81 32 D 8.46 4.15 0.00 2.76 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 0.00 0.00 0.00 0.00 33 S 8.52 4.63 0.00 3.79 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.37 4.81 2.08 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 1.32 0.49 1.14 0.00 0.00 35 E 9.51 4.10 0.00 1.99 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.12 0.00 36 F 7.74 5.80 0.00 3.03 2.90 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 0.00 0.00 0.00 37 F 9.42 4.94 0.00 3.04 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.08 4.62 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 0.58 0.00 0.00 0.95 0.00 0.00 39 D 9.10 4.58 0.00 2.89 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 40 G 8.97 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 41 D 8.76 4.81 0.00 2.74 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 42 K 8.13 4.58 0.00 1.85 2.01 0.00 1.30 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.56 1.46 7.81 43 I 8.17 5.08 1.82 0.00 0.00 0.87 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 0.88 0.87 0.00 0.00 44 I 9.22 4.52 2.15 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.05 0.91 0.00 0.00 45 L 8.63 5.47 0.00 1.58 1.74 0.83 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 46 K 9.03 4.71 0.00 1.79 1.86 0.00 1.27 0.00 0.00 1.54 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.43 7.81 47 K 8.58 4.80 0.00 1.77 1.80 0.00 1.64 0.00 0.00 0.61 0.00 0.00 2.78 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.74 1.37 7.81 48 Y 8.54 4.23 0.00 2.89 2.98 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 0.00 0.00 0.00 49 K 8.42 3.85 0.00 1.81 1.88 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.50 7.81 50 P 0.00 4.32 0.00 2.06 2.01 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 51 H 8.64 4.13 0.00 2.98 3.18 0.00 5.67 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 52 G 7.99 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 0.00 0.00 0.00 0.00 53 V 8.07 3.70 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.76 0.00 0.00 54 C 8.32 4.49 0.00 2.98 2.89 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