NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 A 4.2226 8.2644 123.5740 52.2832 20.2980 177.7180 1 M 4.1387 7.8254 120.9273 55.3881 30.6385 172.6915 2 R 4.3708 8.2068 120.6278 56.3952 35.6843 176.4067 3 Y 4.6404 7.1893 113.9920 59.7247 38.3366 178.0251 4 V 3.7977 7.8449 119.0598 65.6040 31.6184 177.5098 5 A 4.0144 8.0591 120.5036 55.4006 18.2885 179.6793 6 S 4.1633 8.1131 112.1218 61.4785 63.2678 175.5941 7 Y 4.0633 8.7773 123.5256 60.5868 38.5448 178.1105 8 L 3.9066 8.6810 119.9313 57.8199 41.7928 179.1412 9 L 3.9303 7.9688 118.4945 58.1945 41.4502 179.6907 10 A 3.9314 8.3705 120.3696 55.1483 17.7719 179.5390 11 A 4.4673 7.6353 120.5451 54.7183 18.1765 179.6674 12 L 3.8624 7.7585 116.4612 57.1168 41.9177 179.3911 13 G 3.7476 7.8897 105.1134 46.3827 0.0000 173.2110 14 G 3.4386 6.3107 113.6678 45.1463 0.0000 173.3937 15 N 4.7306 7.4100 121.1028 51.4449 37.9351 174.9119 16 S 4.0624 8.3478 119.9084 60.2189 63.3958 174.9396 17 S 4.5806 7.5583 115.0135 55.8631 61.1297 170.9879 18 P 4.4779 0.0000 0.0000 61.5074 32.5746 176.8544 19 S 4.6886 8.8593 116.6579 57.1986 65.9696 175.4991 20 A 4.0342 8.4137 124.2617 55.0009 18.0634 180.3885 21 K 3.8983 7.9503 116.9825 59.6144 32.1901 178.7867 22 D 4.3483 7.6844 117.9268 57.5582 40.7190 178.7589 23 I 3.7347 7.5751 119.8151 64.5702 37.1375 178.2722 24 K 3.9050 8.2695 119.2021 59.7947 31.9629 179.5679 25 K 4.3263 7.9897 119.7125 58.9707 32.0700 179.6234 26 I 3.7944 8.0405 120.3192 64.2147 36.9114 178.4169 27 L 4.1329 8.3537 120.3023 57.9419 40.9259 179.1662 28 D 4.2153 8.4980 119.2701 57.5321 40.5117 178.8366 29 S 4.1481 7.9223 112.7008 60.7665 62.4834 175.6940 30 V 4.2500 7.4819 111.2899 60.5783 32.4635 176.1707 31 G 3.9626 8.0035 105.9462 46.2822 0.0000 173.4523 32 I 4.5442 8.1771 119.2200 59.1458 40.1111 175.5800 33 E 4.6316 8.5312 122.0705 54.9009 31.5645 175.3182 34 A 4.9456 8.1568 121.6885 50.0438 22.1640 175.9026 35 D 4.7553 9.5187 123.4073 52.8514 42.1060 177.0709 36 D 4.2888 8.7046 125.2916 57.8605 40.8533 178.9757 37 D 4.2851 7.9585 118.0349 57.4983 41.0322 178.5913 38 R 3.8985 8.0070 118.5552 59.3949 29.9523 177.8885 39 L 3.3501 8.2129 120.1378 58.2864 42.0057 178.7321 40 N 4.2790 8.3473 116.5692 56.1186 38.3872 177.6685 41 K 3.9038 8.1347 119.9866 59.4857 32.1723 179.3875 42 V 3.8258 8.1520 120.1005 65.4968 31.4105 178.0089 43 I 3.2546 7.9862 119.7256 64.4728 37.1123 178.4384 44 S 4.2087 8.2878 114.2325 61.2014 61.8271 176.0991 45 E 3.9445 8.5072 121.9317 59.3113 29.3522 179.2075 46 L 3.9637 7.8961 119.1769 57.8164 41.4145 179.1447 47 N 4.5979 8.5643 116.1771 55.5419 38.9386 176.0951 48 G 4.0691 7.5083 104.4292 45.8788 0.0000 173.2552 49 K 4.4995 7.8604 118.8654 54.6903 35.8284 175.4737 50 N 4.9018 8.4590 116.0993 52.5729 41.2799 175.7393 51 I 3.6885 8.3132 125.2070 64.9140 37.3358 178.4436 52 E 3.8972 8.2728 118.5794 59.5777 29.2228 179.1747 53 D 4.2844 7.9758 118.1688 57.5648 41.0542 178.9083 54 V 3.5975 7.7813 118.5374 65.9067 31.3484 177.8641 55 I 3.6674 8.5676 120.2265 64.4229 36.8436 178.0315 56 A 4.1429 8.4378 120.7155 54.1682 18.3603 178.6164 57 Q 4.3829 8.1448 115.6377 57.1113 29.6075 177.5531 58 G 3.8134 7.8572 105.8141 46.7600 0.0000 175.9698 59 I 3.8850 8.5701 122.5813 63.3866 38.4204 175.8913 60 G 3.9603 8.5769 105.3951 46.8106 0.0000 173.4781 61 K 3.8597 7.9054 112.2472 57.1453 30.2137 177.0587 62 L 4.1056 7.5220 119.7260 55.9684 41.6084 177.4394 63 A 4.0398 7.2061 121.4035 53.9081 18.8451 178.7753 64 S 4.6018 7.2744 109.4872 57.2480 66.0249 174.2019 65 V 4.4618 7.8715 118.5773 59.0963 33.8016 173.5065 66 P 4.3110 0.0000 0.0000 63.5742 29.6966 176.3269 67 A 4.3106 8.1509 133.9655 51.7156 17.1933 175.7891 68 G 4.2258 7.6850 111.0212 43.0932 0.0000 172.1857 69 G 3.9981 8.7170 107.7781 45.7568 0.0000 173.4110 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 A 8.26 4.22 1.27 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 1 M 7.83 4.14 0.00 2.01 1.96 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 2.51 2.58 0.00 2 R 8.21 4.37 0.00 0.67 1.13 0.00 3.08 0.00 0.00 2.82 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.35 0.00 3 Y 7.19 4.64 0.00 3.07 2.97 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 0.00 0.00 0.00 0.00 4 V 7.84 3.80 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 0.88 0.00 0.00 0.89 0.00 0.00 5 A 8.06 4.01 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 6 S 8.11 4.16 0.00 4.14 4.20 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 0.00 0.00 0.00 0.00 7 Y 8.78 4.06 0.00 3.17 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.68 3.91 0.00 2.06 1.73 1.19 0.64 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 9 L 7.97 3.93 0.00 1.87 1.74 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.37 3.93 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 11 A 7.64 4.47 1.15 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 0.00 0.00 12 L 7.76 3.86 0.00 1.62 1.72 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 13 G 7.89 3.75 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 0.00 0.00 0.00 14 G 6.31 3.44 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 0.00 15 N 7.41 4.73 0.00 2.74 2.65 0.00 0.00 7.09 7.48 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 16 S 8.35 4.06 0.00 3.87 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 17 S 7.56 4.58 0.00 3.80 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.48 0.00 2.02 1.84 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.90 0.00 19 S 8.86 4.69 0.00 4.03 3.97 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 0.00 0.00 0.00 0.00 20 A 8.41 4.03 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 21 K 7.95 3.90 0.00 1.77 1.86 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.46 7.81 22 D 7.68 4.35 0.00 2.91 2.72 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 23 I 7.58 3.73 2.05 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.07 1.02 0.00 0.00 24 K 8.27 3.90 0.00 1.95 1.88 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.77 7.81 25 K 7.99 4.33 0.00 1.92 1.86 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.68 1.48 7.81 26 I 8.04 3.79 1.91 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 1.53 1.16 0.93 0.00 0.00 27 L 8.35 4.13 0.00 1.94 1.86 1.24 1.26 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 28 D 8.50 4.22 0.00 2.84 2.74 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 29 S 7.92 4.15 0.00 3.89 4.10 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 30 V 7.48 4.25 2.09 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 0.90 0.00 0.00 1.06 0.00 0.00 31 G 8.00 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 0.00 0.00 0.00 32 I 8.18 4.54 1.92 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 1.30 0.73 0.92 0.00 0.00 33 E 8.53 4.63 0.00 1.98 1.93 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 2.26 2.37 0.00 34 A 8.16 4.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 9.52 4.76 0.00 2.83 2.65 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 0.00 0.00 0.00 0.00 36 D 8.70 4.29 0.00 2.64 2.71 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 37 D 7.96 4.29 0.00 2.68 2.71 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 38 R 8.01 3.90 0.00 1.99 2.21 0.00 3.31 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.12 0.00 39 L 8.21 3.35 0.00 0.57 1.56 0.57 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.35 4.28 0.00 2.85 2.83 0.00 0.00 7.10 7.25 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 41 K 8.13 3.90 0.00 2.00 1.85 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.75 1.59 7.81 42 V 8.15 3.83 2.36 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 1.33 0.00 0.00 1.16 0.00 0.00 43 I 7.99 3.25 2.07 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.60 1.01 0.00 0.00 44 S 8.29 4.21 0.00 3.94 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 45 E 8.51 3.94 0.00 2.12 1.94 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 2.31 2.61 0.00 46 L 7.90 3.96 0.00 1.31 1.38 0.13 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.56 4.60 0.00 2.79 3.00 0.00 0.00 7.14 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.51 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 49 K 7.86 4.50 0.00 1.80 1.71 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.48 7.81 50 N 8.46 4.90 0.00 2.90 2.91 0.00 0.00 7.19 7.44 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 51 I 8.31 3.69 1.95 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.96 0.98 0.00 0.00 52 E 8.27 3.90 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 53 D 7.98 4.28 0.00 2.89 2.71 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 54 V 7.78 3.60 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 1.00 0.00 0.00 0.98 0.00 0.00 55 I 8.57 3.67 2.02 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 1.57 0.91 0.92 0.00 0.00 56 A 8.44 4.14 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 57 Q 8.14 4.38 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.83 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 58 G 7.86 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 0.00 0.00 0.00 59 I 8.57 3.88 1.95 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 1.45 0.57 0.93 0.00 0.00 60 G 8.58 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 0.00 0.00 0.00 61 K 7.91 3.86 0.00 1.92 1.94 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.35 7.81 62 L 7.52 4.11 0.00 1.83 1.65 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.21 4.04 1.24 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 0.00 0.00 0.00 64 S 7.27 4.60 0.00 3.94 3.84 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 0.00 0.00 0.00 65 V 7.87 4.46 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 0.73 0.00 0.00 0.93 0.00 0.00 66 P 0.00 4.31 0.00 2.19 2.15 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 67 A 8.15 4.31 1.27 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 68 G 7.68 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 0.00 0.00 0.00 0.00 69 G 8.72 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