NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 S 4.4842 8.3193 115.2976 58.8111 63.5391 172.5161 19 H 4.6602 8.0448 119.3197 54.0702 30.8493 171.9424 20 M 4.2144 9.1865 121.1877 55.0388 33.3456 178.0034 21 S 4.3330 8.4572 118.2422 59.0250 63.5100 175.4545 22 T 4.3774 8.8646 116.5968 60.8188 71.0776 175.8643 23 I 3.9620 8.2939 121.5437 64.7148 37.0959 178.4257 24 E 4.0331 8.2247 118.7395 59.6707 29.4053 179.2118 25 E 4.0689 8.1621 118.0221 59.4115 29.3526 179.7064 26 R 3.9672 8.3360 118.2950 59.1318 30.1299 179.2381 27 V 3.8133 8.1728 118.0664 66.2070 31.5244 178.3523 28 K 4.1294 8.2777 118.1985 59.0360 31.8156 179.3591 29 K 3.9466 8.2158 120.1999 59.4576 32.1499 178.9178 30 I 3.7096 7.6083 119.8511 64.5133 37.1081 178.3777 31 I 3.8922 7.9144 120.7257 64.3782 37.0791 178.6940 32 G 3.6857 8.3817 106.6202 47.4391 0.0000 175.6736 33 E 4.0560 8.1548 120.1321 58.8324 29.4833 178.9791 34 Q 4.1220 8.1074 119.1311 58.3762 29.3066 177.1267 35 L 4.6301 7.8695 116.5094 53.4674 42.3590 176.6858 36 G 3.8916 7.9361 106.5973 46.6335 0.0000 174.1133 37 V 4.4828 7.3668 111.3513 58.6003 34.6510 175.6940 38 K 4.3216 8.1929 120.9150 56.4187 32.5650 178.4041 39 Q 4.0891 8.5467 122.4214 58.7060 29.1771 177.9270 40 E 4.1094 8.2246 119.6564 59.5911 29.4362 178.6268 41 E 4.2609 7.8489 116.7999 57.0599 29.7273 176.6661 42 V 3.8327 7.1813 119.1583 62.7324 31.2358 175.3167 43 T 4.5038 8.0449 117.7604 60.2075 70.6888 175.7342 44 N 4.3229 8.5909 120.1793 55.8807 38.7741 176.3994 45 N 4.5974 7.9102 112.4808 52.3382 37.9025 174.9207 46 A 4.1702 7.5524 124.4484 52.1703 19.2179 177.1103 47 S 4.5312 9.4057 118.2909 57.3453 64.5628 175.4291 48 F 4.1942 8.5699 123.2110 60.9534 38.7339 178.0791 49 V 3.8105 8.0304 119.6086 66.0735 31.8097 177.8504 50 E 3.9960 8.2238 117.2899 59.6521 29.7457 178.0157 51 D 4.4926 7.8320 116.9184 56.9408 41.0902 177.9225 52 L 4.2684 7.8930 116.2038 54.5892 42.1450 176.9304 53 G 3.7760 8.2021 105.8615 45.7011 0.0000 173.4549 54 A 4.3396 8.1616 123.1987 51.4489 19.2888 179.0894 55 D 4.8389 8.6131 123.9983 52.2634 43.0566 177.1068 56 S 4.3827 8.4857 113.1496 60.0333 63.4207 174.5280 57 L 4.3594 7.8380 123.8827 57.1942 42.7097 177.3590 58 D 4.3606 9.2155 119.8965 57.8369 40.7819 179.1650 59 T 3.7085 7.7236 109.7171 64.5034 68.7544 176.9967 60 V 3.5044 7.5963 120.6496 65.9551 31.7518 177.8214 61 E 4.0216 8.4017 118.3911 59.0014 29.1747 179.4160 62 L 3.9110 8.0812 119.6860 57.7491 41.6060 179.6107 63 V 3.5017 7.4505 117.7335 66.1558 31.4487 177.8888 64 M 4.0141 8.0027 118.2253 58.4421 31.7555 178.6561 65 A 4.0251 8.0587 120.8147 55.1146 18.5298 179.7529 66 L 4.1629 8.1867 117.6355 57.9656 41.7233 179.4427 67 E 4.1452 8.6098 119.0429 59.3258 28.8329 179.1480 68 E 3.8841 8.2970 119.3072 59.3160 29.5751 178.4991 69 E 3.7354 8.2087 118.5430 58.6680 29.7276 177.3086 70 F 4.6098 8.1620 114.2353 56.1805 39.6815 175.2310 71 D 4.4156 7.5639 118.7222 55.7583 39.7081 172.1736 72 T 4.7720 8.0088 107.2147 59.8759 72.3864 173.5937 73 E 4.5352 8.6608 120.5274 54.6926 31.4864 175.7621 74 I 4.3851 8.3018 125.4093 58.3938 38.1979 175.1648 75 P 4.4346 0.0000 0.0000 62.3860 33.4022 177.0860 76 D 4.3674 8.7001 120.4253 57.5419 40.4858 178.9206 77 E 3.9346 8.0567 118.6339 59.4333 29.8839 178.2940 78 E 4.1383 8.1174 117.8275 59.1077 29.4315 178.8929 79 A 3.8505 7.9318 120.9799 55.0334 18.1516 179.5373 80 E 4.0248 7.8523 116.0594 59.3619 29.5193 179.3636 81 K 4.3263 7.5530 118.5167 57.8021 32.1946 177.4810 82 I 3.9870 6.9529 112.1425 61.0468 37.7437 175.5154 83 T 4.8158 8.5812 117.5068 60.2847 68.9854 172.6884 84 T 4.7891 7.4911 112.0516 58.8440 72.8523 174.9757 85 V 3.5779 7.6205 119.5927 65.9477 31.4926 177.4956 86 Q 3.9143 8.0288 119.1828 59.2066 28.9332 178.1168 87 A 4.0556 7.8243 121.6463 55.1154 18.3888 179.5166 88 A 4.0021 7.8442 118.3318 55.4238 18.2917 179.9178 89 I 3.6003 7.7476 117.2271 64.5989 37.2330 178.0976 90 D 4.4809 8.5138 118.9946 57.4563 40.7836 177.8723 91 Y 4.0403 8.1161 119.9613 60.6798 38.6298 176.0312 92 I 3.9471 7.5693 123.7192 61.5293 37.3025 175.7098 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 18 S 8.32 4.48 0.00 3.86 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 19 H 8.04 4.66 0.00 3.36 3.20 0.00 5.59 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 M 9.19 4.21 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.52 0.00 21 S 8.46 4.33 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 22 T 8.86 4.38 4.30 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 0.00 0.00 0.00 1.28 0.00 0.00 23 I 8.29 3.96 1.92 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 1.86 0.98 0.84 0.00 0.00 24 E 8.22 4.03 0.00 2.05 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 2.42 2.43 0.00 25 E 8.16 4.07 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 26 R 8.34 3.97 0.00 2.26 1.93 0.00 3.13 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 27 V 8.17 3.81 2.33 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 1.16 0.00 0.00 1.10 0.00 0.00 28 K 8.28 4.13 0.00 1.91 1.88 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.61 7.81 29 K 8.22 3.95 0.00 1.99 2.05 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.49 7.81 30 I 7.61 3.71 2.11 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 1.53 0.88 0.94 0.00 0.00 31 I 7.91 3.89 2.10 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.22 1.09 0.00 0.00 32 G 8.38 3.69 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 0.00 0.00 0.00 33 E 8.15 4.06 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 34 Q 8.11 4.12 0.00 2.12 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 35 L 7.87 4.63 0.00 1.79 1.70 1.05 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.94 3.89 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 0.00 0.00 0.00 37 V 7.37 4.48 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 0.98 0.00 0.00 0.96 0.00 0.00 38 K 8.19 4.32 0.00 1.87 1.73 0.00 1.56 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.49 7.81 39 Q 8.55 4.09 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.01 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 40 E 8.22 4.11 0.00 2.05 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 2.41 2.39 0.00 41 E 7.85 4.26 0.00 1.98 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 0.00 2.32 2.31 0.00 42 V 7.18 3.83 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 0.84 0.00 0.00 0.96 0.00 0.00 43 T 8.04 4.50 4.21 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 1.19 0.00 0.00 44 N 8.59 4.32 0.00 2.83 2.88 0.00 0.00 6.56 6.92 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 45 N 7.91 4.60 0.00 2.78 2.88 0.00 0.00 5.99 7.26 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 46 A 7.55 4.17 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 47 S 9.41 4.53 0.00 3.94 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 48 F 8.57 4.19 0.00 3.24 3.07 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 49 V 8.03 3.81 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.99 0.00 0.00 50 E 8.22 4.00 0.00 1.98 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 2.32 2.40 0.00 51 D 7.83 4.49 0.00 2.75 2.68 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 52 L 7.89 4.27 0.00 1.93 1.78 0.86 0.84 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 53 G 8.20 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 0.00 0.00 0.00 54 A 8.16 4.34 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 55 D 8.61 4.84 0.00 2.99 2.85 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 56 S 8.49 4.38 0.00 4.04 4.02 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 0.00 0.00 0.00 57 L 7.84 4.36 0.00 1.75 1.82 0.91 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 58 D 9.22 4.36 0.00 2.90 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.72 3.71 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 1.19 0.00 0.00 60 V 7.60 3.50 2.16 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 1.03 0.00 0.00 0.93 0.00 0.00 61 E 8.40 4.02 0.00 2.23 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 2.49 0.00 62 L 8.08 3.91 0.00 1.70 1.45 0.69 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.45 3.50 2.12 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 1.03 0.00 0.00 0.87 0.00 0.00 64 M 8.00 4.01 0.00 2.11 2.20 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 2.71 2.55 0.00 65 A 8.06 4.03 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 66 L 8.19 4.16 0.00 1.89 1.87 0.93 1.02 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 67 E 8.61 4.15 0.00 2.21 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 0.00 2.46 2.48 0.00 68 E 8.30 3.88 0.00 2.18 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 0.00 2.28 2.30 0.00 69 E 8.21 3.74 0.00 1.81 1.83 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 1.63 1.47 0.00 70 F 8.16 4.61 0.00 3.22 3.06 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 71 D 7.56 4.42 0.00 2.76 2.68 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 72 T 8.01 4.77 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 73 E 8.66 4.54 0.00 1.97 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 2.22 2.31 0.00 74 I 8.30 4.39 1.72 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 1.02 0.92 0.39 0.00 0.00 75 P 0.00 4.43 0.00 2.17 1.99 0.00 3.69 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 76 D 8.70 4.37 0.00 2.75 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 77 E 8.06 3.93 0.00 1.96 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 2.30 2.41 0.00 78 E 8.12 4.14 0.00 2.02 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 2.48 2.59 0.00 79 A 7.93 3.85 1.21 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 0.00 0.00 80 E 7.85 4.02 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 2.33 2.48 0.00 81 K 7.55 4.33 0.00 1.87 1.89 0.00 1.88 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.59 7.81 82 I 6.95 3.99 1.95 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.49 0.94 0.00 0.00 83 T 8.58 4.82 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 1.28 0.00 0.00 84 T 7.49 4.79 4.11 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 1.14 0.00 0.00 85 V 7.62 3.58 2.15 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 1.12 0.00 0.00 0.74 0.00 0.00 86 Q 8.03 3.91 0.00 2.34 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.64 0.00 87 A 7.82 4.06 1.36 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 88 A 7.84 4.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.75 3.60 2.01 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 0.75 0.90 0.00 0.00 90 D 8.51 4.48 0.00 2.79 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 91 Y 8.12 4.04 0.00 3.20 3.06 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 92 I 7.57 3.95 1.52 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.64 0.20 0.00 0.00