NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 Q 4.3444 8.2033 118.8243 56.2368 31.1651 177.3721 5 I 3.5655 7.7291 119.4447 63.6294 37.2352 174.6517 6 E 3.9526 9.0026 120.2284 59.8747 29.3543 178.9561 7 D 4.7167 8.0434 118.8406 56.1062 40.9301 178.2170 8 K 3.8583 7.6922 120.3147 58.7441 32.3378 178.6867 9 I 3.7880 7.7435 120.3146 64.2222 36.4067 178.1943 10 E 4.0158 8.1065 119.2511 59.2092 29.2496 178.9354 11 E 4.0058 7.7030 119.2661 59.1776 29.6855 178.9446 12 I 3.7311 7.6590 119.5212 64.4419 37.1744 178.3099 13 E 4.0167 8.2628 119.5114 59.1900 29.2921 179.4039 14 S 4.0461 8.1134 113.4184 61.3411 62.5397 176.2178 15 K 4.0130 8.0511 122.2736 59.3111 31.9025 178.6206 16 Q 3.9895 8.0686 120.2262 58.9598 28.9834 178.2383 17 K 4.0520 8.1123 119.7335 59.0404 32.0686 179.3063 18 K 3.9735 8.0445 120.0141 59.4873 32.1366 178.9943 19 I 3.8989 7.9230 120.1884 64.4808 37.0788 178.3120 20 E 4.0299 8.3317 119.4593 59.3839 29.1475 179.1568 21 N 4.4230 8.1999 116.6444 56.1157 38.5482 177.4346 22 E 3.9787 8.2572 120.1771 59.4933 29.6018 179.4279 23 I 3.7093 7.9219 119.6579 64.2392 36.5823 178.3913 24 A 4.0296 7.9226 121.2686 55.1561 18.2513 179.9831 25 R 3.9205 7.8736 116.4226 59.3046 30.0842 179.2407 26 I 3.7200 7.9292 119.7177 64.4631 37.2632 178.6927 27 K 3.9887 8.1431 119.2087 59.2200 31.6588 179.7169 28 K 3.9800 7.7748 118.0919 59.3963 32.0518 179.2323 29 L 3.9827 7.7882 120.1898 57.9783 42.1127 178.7487 30 L 4.1096 8.1514 121.9740 57.6463 42.0140 178.9775 31 Q 4.1236 8.1112 117.7301 58.6211 28.5511 178.5663 32 L 4.1178 7.7362 120.6029 57.9075 41.7721 179.5226 33 T 4.0234 8.0161 109.8779 64.6619 68.6748 176.9378 34 V 3.6975 7.8324 120.7773 65.4832 31.6220 177.7919 35 W 4.1776 8.4225 128.3091 60.4811 30.6719 178.0635 36 G 3.7064 8.8487 106.1052 48.0901 0.0000 175.7324 37 I 3.7964 7.9523 122.0744 63.5473 37.0333 178.5446 38 K 3.8207 7.7050 120.3661 59.6202 31.9231 178.9976 39 Q 3.7179 7.4475 118.2466 58.7147 28.5146 178.7334 40 L 3.9245 7.6082 119.6609 57.6250 41.5755 179.3805 41 Q 3.8510 8.0682 119.3186 59.1910 28.8724 178.1296 42 A 3.9468 7.6798 120.2495 54.6535 18.3357 179.3963 43 R 3.9703 7.4192 116.9887 59.6437 30.3508 178.3714 44 I 3.8417 7.4128 118.2002 64.0595 37.1715 176.1331 45 L 4.1890 7.9296 123.2914 54.9219 41.5617 176.5041 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 4 Q 8.20 4.34 0.00 2.29 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 5 I 7.73 3.57 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.92 0.91 0.00 0.00 6 E 9.00 3.95 0.00 2.00 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 2.40 2.42 0.00 7 D 8.04 4.72 0.00 2.68 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 8 K 7.69 3.86 0.00 1.90 1.90 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.47 7.81 9 I 7.74 3.79 2.06 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.54 0.91 0.00 0.00 10 E 8.11 4.02 0.00 2.23 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 2.33 2.41 0.00 11 E 7.70 4.01 0.00 1.83 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 2.30 2.49 0.00 12 I 7.66 3.73 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.59 0.91 0.00 0.00 13 E 8.26 4.02 0.00 2.25 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 2.33 2.31 0.00 14 S 8.11 4.05 0.00 3.96 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 15 K 8.05 4.01 0.00 2.02 1.78 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.44 7.81 16 Q 8.07 3.99 0.00 2.35 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.59 0.00 0.00 0.00 0.00 0.00 2.54 2.40 0.00 17 K 8.11 4.05 0.00 2.00 1.83 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.62 1.58 7.81 18 K 8.04 3.97 0.00 1.85 1.95 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.48 7.81 19 I 7.92 3.90 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.86 0.91 0.00 0.00 20 E 8.33 4.03 0.00 2.18 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 2.33 2.42 0.00 21 N 8.20 4.42 0.00 2.91 2.86 0.00 0.00 6.97 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 22 E 8.26 3.98 0.00 2.21 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 2.33 2.57 0.00 23 I 7.92 3.71 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.93 0.91 0.00 0.00 24 A 7.92 4.03 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.87 3.92 0.00 2.01 1.98 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 26 I 7.93 3.72 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.74 0.92 0.00 0.00 27 K 8.14 3.99 0.00 1.95 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.75 7.81 28 K 7.77 3.98 0.00 1.99 1.83 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.60 7.81 29 L 7.79 3.98 0.00 1.77 1.83 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.15 4.11 0.00 1.94 1.82 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.11 4.12 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 32 L 7.74 4.12 0.00 1.88 1.75 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.02 4.02 4.28 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 1.28 0.00 0.00 34 V 7.83 3.70 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 1.03 0.00 0.00 0.99 0.00 0.00 35 W 8.42 4.18 0.00 3.53 3.37 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 0.00 0.00 0.00 0.00 36 G 8.85 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 37 I 7.95 3.80 1.86 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 1.40 0.75 0.89 0.00 0.00 38 K 7.70 3.82 0.00 1.86 1.72 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.26 1.38 7.81 39 Q 7.45 3.72 0.00 1.70 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 1.18 1.16 0.00 40 L 7.61 3.92 0.00 1.81 1.66 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.07 3.85 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 42 A 7.68 3.95 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 43 R 7.42 3.97 0.00 1.82 2.11 0.00 3.23 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 44 I 7.41 3.84 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.75 0.89 0.00 0.00 45 L 7.93 4.19 0.00 1.61 1.55 0.90 0.70 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