NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9566 8.3393 109.7367 45.6126 0.0000 174.7998 2 S 4.0101 8.4296 115.1734 60.0098 62.7490 173.2233 3 S 3.9844 7.6464 113.8561 57.7459 63.8727 174.2775 4 G 4.1007 8.0768 112.7314 45.5602 0.0000 171.8985 5 S 4.5604 7.8645 114.7835 57.5194 67.0176 172.7703 6 S 4.5216 8.1100 114.4699 58.2374 66.1727 175.1251 7 G 3.9393 10.8019 113.7490 44.2494 0.0000 174.9079 8 K 3.8651 9.2148 118.4499 57.2649 31.4273 173.0003 9 G 4.1763 8.4367 103.8967 43.5777 0.0000 171.9250 10 G 4.0104 8.2863 105.9333 43.6567 0.0000 173.8952 11 Q 4.5678 8.2680 121.5973 55.6537 29.3755 176.3899 12 V 4.2562 7.6753 110.2267 60.4617 33.1296 176.8355 13 R 4.4681 8.2119 121.9717 54.6210 30.8355 174.9302 14 F 4.8495 8.2258 119.7865 55.0504 43.4329 174.8589 15 S 4.6745 8.9962 117.1895 57.1933 64.9159 173.8916 16 N 4.2549 8.7226 121.5318 56.5205 36.6107 176.5597 17 D 4.3336 7.9662 121.0068 55.6527 39.5208 178.2753 18 Q 3.9222 8.1217 118.9838 59.0867 28.7705 179.0792 19 T 3.4171 8.3027 116.5621 66.7391 68.5339 176.1942 20 I 3.5786 7.5959 121.3659 64.9203 37.1672 178.1259 21 E 3.8783 8.1856 118.4964 59.6263 29.5301 179.2940 22 L 3.5549 7.8341 119.2797 57.7518 41.4286 179.6045 23 E 4.1636 7.7702 117.9374 59.1797 28.3335 178.9553 24 K 3.9027 7.9579 118.3861 59.3634 32.0613 178.8628 25 K 3.9184 8.0910 120.0351 59.2125 32.1765 178.2922 26 F 5.0906 7.6446 120.2123 60.7950 39.1478 177.0704 27 E 3.9723 8.0532 117.6138 59.6534 29.4410 179.1487 28 T 4.1904 7.1525 106.3073 63.2939 69.1727 174.5771 29 Q 4.2229 7.8095 123.1108 54.6713 31.4833 174.8177 30 K 3.3243 8.4978 126.0939 58.6517 32.2322 176.0648 31 Y 4.7761 7.6991 113.8060 56.1467 41.3682 174.7186 32 L 4.4425 7.9580 119.6701 53.5862 45.5797 176.4889 33 S 4.3331 8.6228 119.8143 57.8365 63.8560 173.3182 34 P 4.2041 0.0000 0.0000 65.6870 30.7734 176.8811 35 P 4.2252 0.0000 0.0000 66.1543 31.4831 177.7229 36 E 4.1616 8.4014 117.0920 58.4718 29.6375 178.9995 37 R 3.7691 7.5975 117.8796 59.4813 30.2512 178.5900 38 K 3.9307 7.9033 117.4572 59.6110 32.3482 179.3131 39 R 4.0485 8.3452 118.7053 58.9135 29.9336 178.6115 40 L 3.8770 7.9561 119.5202 58.4137 42.0818 178.7472 41 A 4.0922 7.9734 120.2351 54.8425 17.9137 179.1010 42 K 4.0435 7.9055 117.2049 58.7936 32.5377 178.3034 43 M 4.1692 7.7757 117.5402 58.2963 32.5240 177.2723 44 L 4.3294 8.0975 115.8911 54.0342 42.1739 176.7329 45 Q 3.5866 7.7666 116.3440 56.9653 25.9232 173.2490 46 L 4.5955 7.7018 118.2794 53.7312 44.0419 176.3533 47 S 4.8545 7.9994 114.2738 56.7660 66.1529 175.1423 48 E 3.9526 8.7510 124.6491 60.0963 29.2885 180.0790 49 R 3.9566 8.0036 117.5887 59.3644 30.0211 178.3546 50 Q 4.2086 7.9726 117.7255 58.5744 28.6992 177.9168 51 V 4.1354 8.2410 118.3891 64.4468 31.7842 177.4252 52 K 4.2494 8.1953 118.5183 59.4911 32.9472 179.1927 53 T 3.9927 8.2288 116.9073 66.3947 68.5698 176.1095 54 W 4.1059 8.2017 129.8533 60.9862 30.5794 177.4661 55 F 4.0235 9.0355 116.4879 61.0243 38.4658 177.3159 56 Q 3.8793 7.8893 116.9128 59.6313 28.5154 179.7060 57 N 4.2654 8.4268 117.0733 56.5182 38.5802 176.8503 58 R 3.1649 7.8616 119.9639 59.3997 29.7658 177.9520 59 R 4.4238 8.4354 117.5057 60.1211 30.0448 178.3125 60 A 4.1622 7.6122 118.3756 55.0638 18.5472 179.0498 61 K 4.0895 7.7100 117.5898 58.8408 32.6878 178.3117 62 W 4.3406 8.5676 129.0650 60.7993 30.2780 177.6198 63 R 2.9267 8.3758 116.9981 59.5359 29.6617 178.7667 64 R 3.9262 7.7404 115.3769 59.2013 30.1290 178.6665 65 S 4.2057 7.5029 111.9006 60.2479 62.8285 174.9618 66 G 3.6028 7.2262 109.8604 44.0010 0.0000 172.1040 67 P 4.1499 0.0000 0.0000 64.9154 31.6373 175.2176 68 S 3.9789 7.7114 113.8991 57.8619 61.9345 174.3265 69 S 4.1111 8.7734 121.0633 59.5109 62.6149 174.2592 70 G 3.7055 7.9059 111.8102 46.3168 0.0000 171.8487 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 G 8.34 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 2 S 8.43 4.01 0.00 4.07 4.05 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 0.00 0.00 0.00 3 S 7.65 3.98 0.00 3.85 3.83 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 4 G 8.08 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 0.00 0.00 0.00 5 S 7.86 4.56 0.00 3.81 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 6 S 8.11 4.52 0.00 3.76 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 G 10.80 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 0.00 0.00 0.00 8 K 9.21 3.87 0.00 1.78 1.82 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.49 7.81 9 G 8.44 4.18 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 0.00 0.00 0.00 10 G 8.29 4.01 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 0.00 11 Q 8.27 4.57 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 12 V 7.68 4.26 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.13 0.00 0.00 13 R 8.21 4.47 0.00 1.52 1.66 0.00 3.21 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.62 0.00 14 F 8.23 4.85 0.00 2.94 2.84 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 15 S 9.00 4.67 0.00 3.98 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 16 N 8.72 4.25 0.00 2.95 3.03 0.00 0.00 5.66 8.08 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 17 D 7.97 4.33 0.00 2.87 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 18 Q 8.12 3.92 0.00 2.32 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.93 0.00 0.00 0.00 0.00 0.00 2.59 2.49 0.00 19 T 8.30 3.42 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 1.16 0.00 0.00 20 I 7.60 3.58 2.00 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 1.50 1.10 0.89 0.00 0.00 21 E 8.19 3.88 0.00 1.92 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 2.29 2.46 0.00 22 L 7.83 3.55 0.00 0.89 0.13 0.04 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 23 E 7.77 4.16 0.00 2.15 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 2.48 2.50 0.00 24 K 7.96 3.90 0.00 1.91 1.91 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.69 7.81 25 K 8.09 3.92 0.00 2.07 2.20 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.63 1.74 7.81 26 F 7.64 5.09 0.00 2.79 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 27 E 8.05 3.97 0.00 2.15 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 2.73 2.53 0.00 28 T 7.15 4.19 4.22 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 0.00 0.00 0.00 1.20 0.00 0.00 29 Q 7.81 4.22 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.82 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 30 K 8.50 3.32 0.00 1.78 1.86 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.75 0.74 7.81 31 Y 7.70 4.78 0.00 2.80 2.87 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 0.00 0.00 0.00 0.00 32 L 7.96 4.44 0.00 1.22 1.34 -0.16 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.62 4.33 0.00 3.87 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.20 0.00 2.14 2.12 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 35 P 0.00 4.23 0.00 2.00 2.13 0.00 3.61 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.19 0.00 36 E 8.40 4.16 0.00 1.92 1.88 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 2.27 2.41 0.00 37 R 7.60 3.77 0.00 1.75 1.87 0.00 3.34 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 38 K 7.90 3.93 0.00 1.82 1.84 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.50 7.81 39 R 8.35 4.05 0.00 1.85 1.96 0.00 3.28 0.00 0.00 3.05 7.56 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 L 7.96 3.88 0.00 1.71 1.78 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.97 4.09 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 4.04 0.00 1.73 2.05 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.47 7.81 43 M 7.78 4.17 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.62 0.00 44 L 8.10 4.33 0.00 1.63 1.69 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 7.77 3.59 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.79 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 46 L 7.70 4.60 0.00 1.70 1.72 1.02 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.00 4.85 0.00 4.00 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 48 E 8.75 3.95 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 49 R 8.00 3.96 0.00 1.90 1.95 0.00 3.20 0.00 0.00 3.35 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 50 Q 7.97 4.21 0.00 2.51 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.46 6.22 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 51 V 8.24 4.14 2.11 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 0.89 0.00 0.00 1.07 0.00 0.00 52 K 8.20 4.25 0.00 2.06 2.22 0.00 1.39 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.72 7.81 53 T 8.23 3.99 4.48 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 0.00 0.00 0.00 1.29 0.00 0.00 54 W 8.20 4.11 0.00 3.58 3.23 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 55 F 9.04 4.02 0.00 3.14 3.27 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 56 Q 7.89 3.88 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 57 N 8.43 4.27 0.00 2.61 2.71 0.00 0.00 6.69 8.53 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 58 R 7.86 3.16 0.00 0.67 1.29 0.00 2.21 0.00 0.00 2.25 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 59 R 8.44 4.42 0.00 2.39 2.29 0.00 3.57 0.00 0.00 3.60 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.92 0.00 60 A 7.61 4.16 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 61 K 7.71 4.09 0.00 1.69 1.85 0.00 1.56 0.00 0.00 1.46 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.38 7.81 62 W 8.57 4.34 0.00 3.53 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.38 2.93 0.00 1.76 1.87 0.00 3.30 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 2.10 0.00 64 R 7.74 3.93 0.00 1.81 1.93 0.00 3.19 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 65 S 7.50 4.21 0.00 3.85 3.98 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 66 G 7.23 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.15 0.00 2.15 2.15 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 68 S 7.71 3.98 0.00 3.96 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.77 4.11 0.00 3.82 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 70 G 7.91 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 0.00 0.00 0.00