NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3119 8.0427 122.7473 54.9780 43.9755 174.9472 2 Q 4.9429 8.3771 125.8550 52.4368 32.4390 172.2993 3 I 4.7294 9.0290 119.5778 59.1099 42.2000 173.3930 4 F 5.3936 8.8943 121.4552 55.9443 41.7475 175.1727 5 V 4.8638 8.6810 121.7757 61.0193 34.6753 174.4937 6 K 4.8221 8.8533 128.2825 56.3370 33.2328 177.1736 7 T 4.7459 9.2195 116.4525 60.1444 70.7290 175.8970 8 L 3.9913 8.6464 121.1994 57.6956 41.5990 178.2672 9 T 4.2062 7.9513 110.6621 61.6801 67.3967 175.1112 10 G 3.9618 8.5687 109.2169 45.6229 0.0000 174.0323 11 K 4.3830 7.5106 117.9995 56.3402 33.8576 175.7876 12 T 5.1125 8.3700 118.2705 61.8487 70.6455 173.9348 13 I 4.7428 8.6286 119.6696 59.3026 40.6966 174.4718 14 T 4.9203 8.4842 114.0010 60.4676 70.7691 173.6483 15 L 4.7502 8.6502 124.2458 52.8776 44.8669 175.0450 16 E 4.6512 8.6718 124.3569 55.7732 30.3431 175.5553 17 V 4.7197 8.7818 119.7036 59.9061 36.4146 174.2822 18 E 4.8341 9.3220 120.5911 53.8068 32.4129 176.2156 19 P 4.1594 0.0000 0.0000 65.7363 31.3881 177.7933 20 S 4.5377 7.8311 112.1554 58.0221 63.2382 173.7958 21 D 4.4427 7.9874 122.5450 54.5747 41.2593 176.4919 22 T 4.7320 8.2100 113.5864 61.1984 71.3829 175.9776 23 I 3.7334 8.2995 122.8637 64.5508 37.0535 178.6526 24 E 3.9835 8.1923 119.0171 59.5359 29.3756 178.9745 25 N 4.3397 8.0806 116.4653 56.2948 38.5852 177.6643 26 V 3.5773 7.8599 119.6420 65.9250 31.5428 178.2345 27 K 4.3894 8.5044 119.4201 58.9191 31.8379 179.1973 28 A 4.0010 8.1176 121.1167 54.9856 18.1371 179.8672 29 K 3.9392 8.0330 117.0203 59.6736 32.1083 179.6834 30 I 3.7316 7.8195 120.1886 64.2472 36.9310 178.1455 31 Q 4.1725 8.3252 122.1708 58.8477 28.6374 178.2891 32 D 4.3403 7.9209 118.7438 57.0013 40.8713 178.4458 33 K 4.2166 7.7385 117.7798 58.3722 31.2610 178.2073 34 E 4.4958 8.7401 116.5119 54.9935 30.1636 176.5854 35 Q 3.9145 7.9820 116.8343 56.8758 27.1442 173.0222 36 I 4.3457 6.9551 117.7458 58.8439 38.5577 174.0533 37 P 4.4988 0.0000 0.0000 61.9109 32.1102 175.6198 38 P 4.2384 0.0000 0.0000 65.7088 31.4097 178.3180 39 D 4.4775 8.0493 115.9024 55.4459 39.6669 176.6971 40 Q 4.5639 8.1777 117.9406 55.2928 29.3678 174.5389 41 Q 4.8532 7.8821 118.8435 54.3393 31.1355 174.5392 42 R 4.7784 8.7919 123.5178 54.4520 33.1511 173.9210 43 L 5.2894 8.5402 125.5709 53.0199 44.6917 175.1557 44 I 4.9446 8.6101 124.1677 59.4019 40.5468 174.3590 45 F 5.0659 8.9008 128.3133 56.2580 41.9402 174.8262 46 A 3.3851 9.2896 131.1021 53.2371 15.5766 177.7885 47 G 3.9715 8.1263 107.8385 45.6843 0.0000 173.5030 48 K 4.5299 7.5962 119.6214 54.5216 33.9467 175.0041 49 Q 4.6412 8.4695 124.5445 55.6240 29.7060 175.2150 50 L 4.0857 8.6179 127.2593 54.3939 42.7241 176.0877 51 E 4.8200 9.0447 121.8851 54.1722 32.5465 175.5535 52 D 4.4905 8.8152 123.1667 55.9330 41.4756 175.7848 53 G 4.1241 10.4018 114.1834 46.1479 0.0000 174.7262 54 R 4.4664 7.9314 118.7429 55.1570 31.4776 175.4567 55 T 4.9499 8.3782 110.0596 59.8009 71.3819 175.5356 56 L 4.1775 8.6821 122.1819 58.1375 41.5238 180.1049 57 S 4.1267 8.0216 113.9554 61.6920 62.5211 176.1826 58 D 4.3460 7.9342 121.5066 56.6277 40.5306 177.3643 59 Y 4.5040 7.8039 114.4363 56.3568 38.6539 174.7974 60 N 4.1539 7.9526 117.3812 54.4565 38.0645 174.1896 61 I 3.8204 7.6937 116.9465 60.3332 38.1853 175.4944 62 Q 4.6465 8.6016 124.3660 53.2245 32.5302 174.3433 63 K 4.0077 8.4844 116.8297 59.3776 32.3448 176.6613 64 E 3.7395 8.9131 120.1667 56.6893 27.9498 174.9277 65 S 4.5860 7.8572 115.7925 59.0378 64.3016 173.2590 66 T 5.2051 8.7119 118.4147 62.0452 70.8681 173.6118 67 L 4.9834 9.0679 126.6871 53.5572 44.9696 175.1117 68 H 5.1624 9.0215 118.7239 54.0070 31.3842 172.9243 69 L 4.9443 8.3639 126.0728 54.1576 42.8654 176.1422 70 V 4.6265 8.5953 119.0508 59.5203 35.6949 174.6159 71 L 4.9433 8.4791 122.7746 53.8963 43.1427 176.7798 72 R 4.3054 8.8700 123.0079 54.9922 31.3931 176.6887 73 L 3.9827 8.3986 122.9948 55.1209 41.5187 174.9511 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 L 8.04 4.31 0.00 1.75 1.82 0.89 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 2 Q 8.38 4.94 0.00 2.08 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.61 0.00 0.00 0.00 0.00 0.00 1.87 2.36 0.00 3 I 9.03 4.73 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.07 0.83 0.00 0.00 4 F 8.89 5.39 0.00 3.03 2.90 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 5 V 8.68 4.86 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 0.99 0.00 0.00 0.93 0.00 0.00 6 K 8.85 4.82 0.00 1.76 1.75 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.54 7.81 7 T 9.22 4.75 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 8 L 8.65 3.99 0.00 1.66 1.80 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.95 4.21 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 10 G 8.57 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 11 K 7.51 4.38 0.00 1.79 1.74 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.42 7.81 12 T 8.37 5.11 4.23 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 1.22 0.00 0.00 13 I 8.63 4.74 1.90 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 1.31 0.80 0.93 0.00 0.00 14 T 8.48 4.92 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 1.37 0.00 0.00 15 L 8.65 4.75 0.00 1.55 1.52 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.67 4.65 0.00 1.92 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 17 V 8.78 4.72 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 0.69 0.00 0.00 0.92 0.00 0.00 18 E 9.32 4.83 0.00 1.83 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 2.19 2.19 0.00 19 P 0.00 4.16 0.00 2.20 2.30 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 20 S 7.83 4.54 0.00 3.87 3.91 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 0.00 0.00 0.00 21 D 7.99 4.44 0.00 2.85 2.57 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 22 T 8.21 4.73 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 1.22 0.00 0.00 23 I 8.30 3.73 2.01 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 1.86 1.08 0.89 0.00 0.00 24 E 8.19 3.98 0.00 2.06 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 2.41 2.65 0.00 25 N 8.08 4.34 0.00 3.03 2.85 0.00 0.00 6.66 7.72 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 26 V 7.86 3.58 2.18 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 0.99 0.00 0.00 0.93 0.00 0.00 27 K 8.50 4.39 0.00 2.01 1.84 0.00 1.73 0.00 0.00 1.91 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.47 7.81 28 A 8.12 4.00 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 29 K 8.03 3.94 0.00 2.00 1.85 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.65 7.81 30 I 7.82 3.73 2.13 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 1.40 0.80 0.95 0.00 0.00 31 Q 8.33 4.17 0.00 2.27 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 32 D 7.92 4.34 0.00 2.88 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 33 K 7.74 4.22 0.00 1.68 1.86 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.62 7.81 34 E 8.74 4.50 0.00 1.97 1.95 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 2.24 2.46 0.00 35 Q 7.98 3.91 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.63 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 36 I 6.96 4.35 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 1.30 1.38 0.91 0.00 0.00 37 P 0.00 4.50 0.00 2.35 1.97 0.00 3.61 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.11 0.00 38 P 0.00 4.24 0.00 2.17 2.11 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 39 D 8.05 4.48 0.00 2.79 2.80 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 0.00 0.00 0.00 40 Q 8.18 4.56 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.85 0.00 0.00 0.00 0.00 0.00 2.55 2.28 0.00 41 Q 7.88 4.85 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 42 R 8.79 4.78 0.00 1.86 1.90 0.00 3.05 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 43 L 8.54 5.29 0.00 1.56 1.49 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.61 4.94 1.94 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 1.13 1.10 0.90 0.00 0.00 45 F 8.90 5.07 0.00 2.89 2.78 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 46 A 9.29 3.39 0.75 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 47 G 8.13 3.97 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 0.00 0.00 0.00 48 K 7.60 4.53 0.00 2.02 1.79 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.50 7.81 49 Q 8.47 4.64 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 50 L 8.62 4.09 0.00 1.40 1.22 0.68 0.17 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 51 E 9.04 4.82 0.00 2.04 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 2.28 2.37 0.00 52 D 8.82 4.49 0.00 2.68 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 G 10.40 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 R 7.93 4.47 0.00 2.13 1.78 0.00 3.17 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 55 T 8.38 4.95 4.33 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 0.00 0.00 0.00 1.28 0.00 0.00 56 L 8.68 4.18 0.00 1.89 1.70 0.86 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.02 4.13 0.00 4.06 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 58 D 7.93 4.35 0.00 2.74 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 4.50 0.00 3.01 3.01 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 60 N 7.95 4.15 0.00 2.91 3.00 0.00 0.00 7.10 8.11 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 61 I 7.69 3.82 1.79 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.08 0.59 0.00 0.00 62 Q 8.60 4.65 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.89 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 63 K 8.48 4.01 0.00 1.81 1.82 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.50 7.81 64 E 8.91 3.74 0.00 2.23 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 0.00 2.29 2.26 0.00 65 S 7.86 4.59 0.00 3.74 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 66 T 8.71 5.21 4.34 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 1.17 0.00 0.00 67 L 9.07 4.98 0.00 1.55 1.56 0.83 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.02 5.16 0.00 3.06 3.21 0.00 5.60 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.36 4.94 0.00 1.66 1.75 0.93 1.07 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 70 V 8.60 4.63 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 0.79 0.00 0.00 0.98 0.00 0.00 71 L 8.48 4.94 0.00 1.53 1.58 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.87 4.31 0.00 1.72 1.88 0.00 3.33 0.00 0.00 3.37 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 73 L 8.40 3.98 0.00 1.81 1.69 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00