NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4409 8.3349 115.2924 58.4716 63.0408 172.6297 3 D 4.5720 8.6493 127.7341 54.5619 42.5639 175.6952 4 K 3.1847 8.5480 121.6654 54.9600 33.2848 174.2074 5 P 4.2458 0.0000 0.0000 62.2253 31.6537 176.5439 6 K 4.0792 8.5577 123.1924 56.0764 32.6324 177.0627 7 R 3.4323 8.5389 121.7859 55.7458 30.4928 174.9403 8 P 4.3163 0.0000 0.0000 62.4445 31.9719 175.8140 9 L 4.2172 8.0896 119.8526 54.1292 42.5832 178.0471 10 S 4.4029 8.4039 117.7045 57.7666 65.2422 175.0486 11 A 4.2712 8.7046 124.5055 55.8047 18.0865 179.2022 12 Y 2.0000 7.8315 116.8714 60.1721 38.7146 177.7895 13 A 3.5474 7.7005 121.2125 55.4471 18.2383 179.7510 14 L 3.9443 7.6062 115.5313 57.3048 41.9113 179.3945 15 W 2.0000 7.3418 128.4576 59.3610 30.4485 177.3766 16 L 2.4400 7.3153 120.4423 58.1353 41.1215 178.7575 17 N 4.0289 7.5992 114.9657 55.2303 38.3828 175.7270 18 S 4.5804 7.5191 113.5811 57.6037 63.4055 174.4445 19 A 4.3640 7.6202 120.6612 51.2555 21.0402 178.8744 20 R 3.6167 7.6508 116.5842 59.2481 30.0671 177.7491 21 E 4.0205 7.9024 118.2015 58.4028 29.7434 178.3386 22 S 4.0196 7.8496 113.0571 61.3594 62.6281 175.6018 23 I 3.6514 7.8242 122.7150 64.5410 36.7118 178.1697 24 K 3.8694 7.6635 118.5930 59.6524 32.0352 178.4252 25 R 4.0318 7.8396 117.8963 59.3834 30.1262 178.0196 26 E 4.2325 8.6128 117.4053 57.5385 30.8880 176.8268 27 N 5.0471 7.7206 115.4233 50.3870 38.7146 172.3260 28 P 4.2076 0.0000 0.0000 63.7744 32.6116 176.8467 29 G 3.7548 8.5076 109.3786 46.6430 0.0000 173.4868 30 I 4.2242 7.5820 118.5232 58.5748 39.6438 175.0941 31 K 3.9661 8.5489 127.3143 56.7831 32.3138 177.7513 32 V 3.8511 8.4037 121.0179 64.4841 31.8329 176.9635 33 T 4.2946 7.9224 115.9792 66.6443 68.9163 176.7103 34 E 3.9961 8.1092 119.9049 59.4627 29.3194 179.2661 35 V 3.5530 7.9663 117.5534 65.9999 31.4335 177.8841 36 A 4.0440 8.0504 120.4649 54.9899 18.3388 179.5608 37 K 4.0112 8.0421 117.6916 59.5081 32.2099 179.0687 38 R 4.0968 8.5086 119.1027 59.1805 29.9954 179.0684 39 G 4.2009 8.1349 105.7317 47.9360 0.0000 175.7495 40 G 3.8482 8.2316 107.7839 47.8729 0.0000 175.5265 41 E 4.0253 8.4866 121.5302 59.0567 29.5354 179.5092 42 L 4.1468 8.4738 119.2995 57.0478 41.5887 179.2249 43 W 3.6841 8.6275 128.0075 60.3411 30.7635 177.9758 44 R 3.8485 8.0139 116.5351 59.1644 29.7064 178.6141 45 A 4.1278 7.6334 117.5776 52.9679 18.5500 176.9973 46 M 4.2253 6.9361 116.7669 55.1826 33.2331 175.3077 47 K 4.2935 8.1218 117.1790 58.0895 35.8314 177.6073 48 D 4.5884 7.6683 119.1271 53.4365 39.8329 176.4828 49 K 4.4909 7.5445 116.9958 57.0134 32.5373 178.5012 50 S 4.2709 7.8911 116.9630 61.0927 62.2237 175.7881 51 E 3.6979 7.9506 121.6672 59.1952 29.5588 178.7991 52 W 4.6102 7.9030 118.0666 59.4121 29.1437 178.4893 53 E 4.1574 8.4266 118.4313 59.3148 28.5284 179.0612 54 A 4.0239 7.9556 120.4942 55.0746 18.3271 179.6398 55 K 3.9444 8.1818 118.0045 59.5078 32.1976 178.6663 56 A 4.1985 8.2226 119.7020 54.0199 18.3886 179.4500 57 A 3.9882 7.8439 120.2655 55.0912 18.5959 179.6472 58 K 3.9194 7.8928 117.4686 59.3799 32.0827 178.8128 59 A 4.0073 7.8343 121.2872 55.2776 18.3354 179.5875 60 K 3.9763 7.8465 116.9973 59.8028 31.8271 179.2138 61 D 4.3817 8.2169 118.9222 57.7274 40.7288 178.6107 62 D 4.4065 8.1013 119.0968 57.5283 40.7669 178.4265 63 Y 4.1266 8.3828 120.4212 60.5841 38.7424 177.4366 64 D 4.1448 8.5768 120.2471 57.4845 40.9630 178.7242 65 R 3.8696 7.6198 117.9494 59.4046 30.0513 178.8130 66 A 3.9218 7.5921 120.1196 55.1771 18.4439 179.6340 67 V 3.4059 7.3685 116.4868 66.1812 31.3947 178.1852 68 K 4.0318 8.1371 119.3044 59.4683 32.0379 178.3437 69 E 3.9652 8.5763 120.1569 58.7464 29.2782 178.6059 70 F 4.1077 8.3450 120.6422 61.4538 39.7187 176.9845 71 E 3.9576 8.7275 116.9289 58.8056 29.2161 178.9034 72 A 4.2446 7.4051 120.1887 54.2385 19.9103 178.9792 73 N 4.4716 7.9451 113.6913 53.1581 38.5769 175.9815 74 G 4.0451 7.8255 111.6270 46.0719 0.0000 173.7083 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 2 S 8.33 4.44 0.00 3.84 3.87 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 3 D 8.65 4.57 0.00 2.91 3.10 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 4 K 8.55 3.18 0.00 1.57 1.62 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.23 7.81 5 P 0.00 4.25 0.00 2.01 1.93 0.00 3.19 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.84 0.00 6 K 8.56 4.08 0.00 1.75 1.73 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.45 7.81 7 R 8.54 3.43 0.00 1.68 1.68 0.00 3.19 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 8 P 0.00 4.32 0.00 2.05 1.88 0.00 2.95 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.50 0.00 9 L 8.09 4.22 0.00 1.64 1.59 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.40 4.40 0.00 4.09 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 11 A 8.70 4.27 1.76 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 0.00 0.00 12 Y 7.83 2.00 0.00 1.92 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.70 3.55 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 14 L 7.61 3.94 0.00 1.79 1.93 1.07 0.85 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 W 7.34 2.00 0.00 1.91 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.32 2.44 0.00 0.78 1.11 0.48 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 7.60 4.03 0.00 2.67 2.73 0.00 0.00 6.94 7.35 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 18 S 7.52 4.58 0.00 3.92 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 19 A 7.62 4.36 0.36 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 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.65 3.62 0.00 1.77 1.77 0.00 3.05 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 21 E 7.90 4.02 0.00 2.05 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 22 S 7.85 4.02 0.00 3.93 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 23 I 7.82 3.65 1.78 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.68 0.90 0.00 0.00 24 K 7.66 3.87 0.00 1.93 1.98 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.43 7.81 25 R 7.84 4.03 0.00 1.95 2.14 0.00 3.31 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 26 E 8.61 4.23 0.00 2.15 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 2.36 2.47 0.00 27 N 7.72 5.05 0.00 2.76 2.73 0.00 0.00 6.99 7.54 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 28 P 0.00 4.21 0.00 2.03 1.99 0.00 3.79 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 2.03 2.09 0.00 29 G 8.51 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 30 I 7.58 4.22 2.09 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 1.41 0.91 0.92 0.00 0.00 31 K 8.55 3.97 0.00 1.86 1.73 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.44 7.81 32 V 8.40 3.85 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 0.77 0.00 0.00 0.92 0.00 0.00 33 T 7.92 4.29 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 1.22 0.00 0.00 34 E 8.11 4.00 0.00 2.15 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 2.41 2.38 0.00 35 V 7.97 3.55 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 1.00 0.00 0.00 0.91 0.00 0.00 36 A 8.05 4.04 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 37 K 8.04 4.01 0.00 1.86 1.85 0.00 1.75 0.00 0.00 1.91 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.65 1.56 7.81 38 R 8.51 4.10 0.00 2.13 2.05 0.00 3.56 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 39 G 8.13 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 0.00 0.00 0.00 40 G 8.23 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.49 4.03 0.00 2.26 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 0.00 2.36 2.40 0.00 42 L 8.47 4.15 0.00 2.09 1.91 1.16 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 43 W 8.63 3.68 0.00 3.21 3.28 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 44 R 8.01 3.85 0.00 1.79 1.92 0.00 3.20 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 45 A 7.63 4.13 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 46 M 6.94 4.23 0.00 1.55 1.77 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 47 K 8.12 4.29 0.00 1.66 1.69 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.33 7.81 48 D 7.67 4.59 0.00 2.73 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 7.54 4.49 0.00 1.65 1.68 0.00 1.02 0.00 0.00 0.61 0.00 0.00 2.39 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.70 0.94 7.81 50 S 7.89 4.27 0.00 3.85 4.06 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 0.00 0.00 0.00 51 E 7.95 3.70 0.00 1.75 1.20 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 1.53 1.99 0.00 52 W 7.90 4.61 0.00 3.87 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.43 4.16 0.00 2.21 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 0.00 2.45 2.53 0.00 54 A 7.96 4.02 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 55 K 8.18 3.94 0.00 2.05 1.99 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.53 1.49 7.81 56 A 8.22 4.20 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.84 3.99 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 58 K 7.89 3.92 0.00 1.88 1.99 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.49 7.81 59 A 7.83 4.01 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 60 K 7.85 3.98 0.00 1.99 1.97 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.51 7.81 61 D 8.22 4.38 0.00 2.86 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 62 D 8.10 4.41 0.00 2.91 2.77 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 63 Y 8.38 4.13 0.00 3.08 3.22 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 0.00 64 D 8.58 4.14 0.00 2.87 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.62 3.87 0.00 1.97 2.00 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 66 A 7.59 3.92 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 67 V 7.37 3.41 1.63 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 0.91 0.00 0.00 0.28 0.00 0.00 68 K 8.14 4.03 0.00 1.79 1.99 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.58 7.81 69 E 8.58 3.97 0.00 2.32 1.96 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 2.31 2.47 0.00 70 F 8.34 4.11 0.00 3.01 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 71 E 8.73 3.96 0.00 2.08 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 2.46 2.57 0.00 72 A 7.41 4.24 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 73 N 7.95 4.47 0.00 3.07 2.80 0.00 0.00 7.16 7.60 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 74 G 7.83 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 0.00 0.00 0.00