NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2588 8.1133 117.2710 56.1040 30.1858 176.8046 11 S 3.9202 8.5012 111.3677 59.3026 62.6956 174.0388 12 G 3.2621 7.5643 108.6649 47.5131 0.0000 175.0718 13 R 4.1192 7.6764 116.1144 58.0457 29.9931 177.5347 14 F 5.1299 9.0345 119.3058 57.9391 39.5751 176.6694 15 G 3.7584 8.1479 107.4997 47.1053 0.0000 174.3367 16 A 4.5705 8.5711 126.2599 52.1411 19.2322 177.0828 17 R 4.1078 7.4486 117.5313 57.4470 31.6291 176.4517 18 Y 3.9012 7.8806 117.1923 57.1428 36.1562 170.7589 19 G 4.0126 7.9085 103.6539 45.1867 0.0000 173.1553 20 R 3.9492 7.9664 116.5819 58.4520 29.6659 179.3409 21 V 3.5093 7.5907 117.0636 66.7765 32.0149 178.2590 22 S 4.1199 8.2295 114.2133 62.0739 62.6827 176.9910 23 R 4.2556 8.0448 117.6857 58.9854 29.3763 178.8450 24 R 3.8912 8.6224 120.2604 59.5888 30.1417 178.7092 25 R 4.0158 8.2912 117.6809 58.6212 29.9233 179.3104 26 V 3.5240 7.7107 118.2673 65.7105 31.5627 177.6554 27 A 3.9609 8.2899 120.8656 56.1342 18.2963 178.6226 28 E 3.8281 8.4609 116.0170 59.4273 29.3602 179.5962 29 I 3.6503 8.0566 119.2094 65.0279 37.5409 178.2828 30 E 4.0333 8.4012 119.1786 59.2815 29.0157 179.0395 31 S 4.1414 8.3996 112.6923 61.7246 62.7494 175.6471 32 E 4.0993 8.3471 121.6150 59.4800 29.1741 178.3802 33 M 4.6035 8.2068 119.1056 58.1364 32.4607 177.2047 34 N 4.7757 8.7845 113.8815 52.9367 39.2574 175.2928 35 E 4.1656 7.2517 120.3509 55.8596 30.2365 176.4881 36 D 4.4959 8.3436 120.6257 54.8889 41.7123 175.7877 37 H 5.0551 8.5409 119.1451 53.7206 32.7654 172.4700 38 A 4.3625 8.7077 125.0311 51.4732 18.8899 176.7937 39 C 4.2134 8.8079 124.2844 59.4629 32.2620 173.0280 40 P 4.1008 0.0000 0.0000 65.6239 30.7785 177.1270 41 N 4.1026 7.2022 114.4761 55.7452 40.2260 178.0282 42 C 4.4490 8.6321 119.2293 58.4819 29.0308 175.0627 43 G 4.8348 8.7521 113.1257 44.5148 0.0000 172.2809 44 E 4.0113 7.3508 122.2189 55.5859 30.9077 176.4338 45 D 5.7634 8.4435 126.6260 53.5350 38.5580 176.1456 46 R 4.8165 7.8659 122.4119 55.7097 32.7622 174.0997 47 V 5.0734 8.2447 118.4621 61.7396 33.4411 174.5722 48 D 5.2421 9.2023 126.4401 52.1782 45.2121 175.2875 49 R 3.0609 8.8207 122.2064 56.3820 30.5531 176.1662 50 Q 4.3139 8.2251 123.8737 56.8579 30.6189 175.8282 51 G 3.7093 6.5490 104.3091 45.6872 0.0000 172.2139 52 T 3.7679 8.4035 119.7700 64.5633 68.0475 174.7792 53 G 4.1233 8.4403 114.9331 46.1530 0.0000 171.2455 54 I 4.6771 6.6783 120.6345 59.1053 39.4962 174.8797 55 W 5.1156 8.7232 125.7265 55.0378 33.3593 174.1071 56 Q 5.1910 8.7448 121.7533 55.2059 32.8741 172.7309 57 C 5.2903 9.5427 126.9750 58.3174 32.4416 174.5669 58 S 4.3264 9.4882 121.9374 60.3958 62.3681 174.2226 59 Y 4.4475 7.4335 122.8840 59.2710 38.8400 174.9547 60 C 4.1065 8.0390 112.9765 58.0632 30.7758 174.7474 61 D 4.8733 8.3665 119.2934 54.6778 38.9463 173.3018 62 Y 4.5553 7.5273 121.4118 58.2898 39.8067 174.9737 63 K 5.1436 8.2128 126.8673 54.6353 35.0475 174.6705 64 F 4.8730 9.0493 121.3671 56.0172 41.7493 172.9211 65 T 4.7549 8.6390 109.9655 61.5271 69.9745 174.0906 66 G 4.4862 8.3622 110.2030 45.5010 0.0000 172.2060 67 G 4.0668 8.6578 107.3811 46.3009 0.0000 175.3016 68 S 4.1204 8.7992 115.9990 60.9732 62.7859 175.2330 69 Y 5.0062 7.9737 113.8958 57.2396 39.8102 174.9111 70 K 4.6303 7.9906 119.5488 53.6116 35.8761 175.4424 71 P 2.9700 0.0000 0.0000 64.0887 31.6314 176.0360 72 E 4.8595 7.5868 117.4566 54.4337 33.0785 174.7154 73 T 4.6992 8.1320 112.2781 58.9450 71.6543 173.1187 74 P 4.3065 0.0000 0.0000 66.2515 31.0918 179.2096 75 G 3.7133 8.1004 102.5639 47.5012 0.0000 175.5932 76 G 3.7681 8.2726 108.2672 47.7505 0.0000 176.0674 77 K 4.0627 8.0333 120.6117 59.3582 31.8288 179.4238 78 T 3.7929 7.4961 115.6990 66.2986 68.3538 176.4109 79 V 3.7254 7.3555 119.0026 66.3428 31.6261 177.7563 80 R 4.0068 7.9969 115.4743 57.6132 30.2396 177.7880 81 R 3.6873 8.0889 108.7791 59.3990 29.2947 176.9394 82 S 4.2750 9.0376 120.6153 58.7994 62.9131 174.7862 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 10 R 8.11 4.26 0.00 1.98 2.00 0.00 2.93 0.00 0.00 3.33 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 11 S 8.50 3.92 0.00 4.02 4.14 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 0.00 0.00 0.00 0.00 12 G 7.56 3.26 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 0.00 0.00 0.00 0.00 13 R 7.68 4.12 0.00 1.89 1.94 0.00 2.75 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.87 0.00 14 F 9.03 5.13 0.00 3.33 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 15 G 8.15 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 0.00 0.00 0.00 16 A 8.57 4.57 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 17 R 7.45 4.11 0.00 0.95 0.66 0.00 2.83 0.00 0.00 3.06 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.35 0.00 18 Y 7.88 3.90 0.00 3.02 3.05 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 19 G 7.91 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 20 R 7.97 3.95 0.00 1.88 1.91 0.00 3.18 0.00 0.00 3.28 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 21 V 7.59 3.51 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 1.14 0.00 0.00 0.94 0.00 0.00 22 S 8.23 4.12 0.00 4.06 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 23 R 8.04 4.26 0.00 2.29 2.66 0.00 3.03 0.00 0.00 3.50 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.75 0.00 24 R 8.62 3.89 0.00 1.90 2.23 0.00 3.10 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 1.77 1.69 0.00 25 R 8.29 4.02 0.00 1.97 1.93 0.00 3.16 0.00 0.00 3.07 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 26 V 7.71 3.52 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.12 0.00 0.00 27 A 8.29 3.96 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.46 3.83 0.00 2.17 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 0.00 2.34 2.47 0.00 29 I 8.06 3.65 1.75 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.80 0.53 0.00 0.00 30 E 8.40 4.03 0.00 2.01 2.01 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 2.33 2.59 0.00 31 S 8.40 4.14 0.00 3.94 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 32 E 8.35 4.10 0.00 2.13 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 2.39 2.56 0.00 33 M 8.21 4.60 0.00 2.29 2.44 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.13 2.75 0.00 34 N 8.78 4.78 0.00 2.77 2.88 0.00 0.00 7.09 8.16 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 35 E 7.25 4.17 0.00 1.99 1.78 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 2.34 2.54 0.00 36 D 8.34 4.50 0.00 2.63 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.54 5.06 0.00 3.24 3.10 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.71 4.36 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 39 C 8.81 4.21 0.00 3.20 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.10 0.00 1.80 1.86 0.00 3.59 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.74 0.00 41 N 7.20 4.10 0.00 2.31 2.49 0.00 0.00 6.91 7.66 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 42 C 8.63 4.45 0.00 3.21 2.63 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 43 G 8.75 4.83 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 0.00 0.00 0.00 44 E 7.35 4.01 0.00 1.87 1.67 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 1.76 2.18 0.00 45 D 8.44 5.76 0.00 2.59 2.63 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 46 R 7.87 4.82 0.00 1.80 1.96 0.00 3.25 0.00 0.00 3.38 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 47 V 8.24 5.07 2.30 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 1.15 0.00 0.00 1.23 0.00 0.00 48 D 9.20 5.24 0.00 2.64 2.55 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 49 R 8.82 3.06 0.00 0.96 1.44 0.00 2.94 0.00 0.00 2.92 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.50 0.00 50 Q 8.23 4.31 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.42 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 51 G 6.55 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 52 T 8.40 3.77 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 1.03 0.00 0.00 53 G 8.44 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.68 4.68 1.58 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.81 0.71 0.00 0.00 55 W 8.72 5.12 0.00 1.78 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 56 Q 8.74 5.19 0.00 2.09 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.62 0.00 57 C 9.54 5.29 0.00 3.29 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.49 4.33 0.00 4.05 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 59 Y 7.43 4.45 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 60 C 8.04 4.11 0.00 3.10 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 61 D 8.37 4.87 0.00 2.93 2.92 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 0.00 0.00 0.00 0.00 62 Y 7.53 4.56 0.00 2.94 3.04 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 0.00 0.00 0.00 63 K 8.21 5.14 0.00 1.73 1.55 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.19 1.32 7.81 64 F 9.05 4.87 0.00 3.03 2.40 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 65 T 8.64 4.75 4.29 0.00 0.00 0.00 0.00 0.00 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 66 G 8.36 4.49 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 0.00 0.00 0.00 67 G 8.66 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 68 S 8.80 4.12 0.00 3.33 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 69 Y 7.97 5.01 0.00 3.14 3.04 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 0.00 0.00 0.00 70 K 7.99 4.63 0.00 1.79 1.63 0.00 1.70 0.00 0.00 1.88 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.64 1.50 7.81 71 P 0.00 2.97 0.00 1.77 0.75 0.00 3.10 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.20 0.00 72 E 7.59 4.86 0.00 1.84 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 73 T 8.13 4.70 4.27 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 1.25 0.00 0.00 74 P 0.00 4.31 0.00 2.19 2.18 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 75 G 8.10 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 76 G 8.27 3.77 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 0.00 0.00 0.00 77 K 8.03 4.06 0.00 1.94 1.87 0.00 1.67 0.00 0.00 1.81 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.63 1.68 7.81 78 T 7.50 3.79 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 79 V 7.36 3.73 2.21 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 0.84 0.00 0.00 1.02 0.00 0.00 80 R 8.00 4.01 0.00 1.98 2.01 0.00 3.30 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 81 R 8.09 3.69 0.00 2.07 1.58 0.00 3.20 0.00 0.00 3.27 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 82 S 9.04 4.28 0.00 3.99 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