NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.2296 8.3293 118.8241 55.0076 29.7908 175.0689 2 P 4.1652 0.0000 0.0000 63.3506 29.9962 174.9422 3 D 4.6597 8.5248 133.4293 53.5492 42.1570 179.3457 4 A 4.5969 7.2294 115.7051 51.9723 20.6188 176.8881 5 I 4.1247 7.6222 121.3411 61.3660 39.0998 177.1488 6 N 4.6435 7.8744 120.0511 51.3849 36.0738 174.2129 7 A 4.6651 7.3053 121.8468 49.9531 21.9960 175.1918 8 P 4.2970 0.0000 0.0000 62.4352 30.7173 177.0501 9 V 3.8643 8.0130 124.8341 60.0325 30.4909 175.3262 10 T 3.8073 8.2823 122.7616 64.6087 68.3224 174.0028 11 C 5.0063 8.1888 124.9364 55.6265 43.9016 172.3603 12 C 4.7242 8.2240 116.6377 56.5332 43.5549 172.2758 13 Y 4.7686 8.0114 112.7174 59.5098 42.0035 174.3697 14 N 4.8140 7.5052 114.0025 51.2712 42.0809 173.2455 15 F 5.6358 8.2407 116.1504 56.4347 42.4215 173.5204 16 T 3.9000 9.0811 120.9114 63.0983 66.7943 172.0553 17 N 5.1833 8.8699 126.3750 53.2729 39.2005 173.9982 18 R 4.2712 6.8988 115.6023 53.2850 31.9187 176.0234 19 K 2.4800 7.8263 121.9153 56.2599 30.8463 175.5599 20 I 3.5988 5.4200 123.9906 59.9930 37.9431 176.2394 21 S 3.9653 8.6831 119.4125 58.6430 62.1444 175.4464 22 V 3.6522 8.5809 127.2253 64.4257 31.3714 178.4409 23 Q 3.9744 8.0950 118.1201 59.2835 28.8921 177.6368 24 R 3.9476 7.9215 118.4664 58.6074 29.6033 176.2189 25 L 4.6701 7.4436 117.5302 54.2587 39.8533 177.0666 26 A 4.2654 8.7222 126.2536 54.4517 19.2923 176.6928 27 S 4.7266 7.6754 110.6259 58.9656 68.5951 174.7815 28 Y 5.3027 8.5531 120.9954 56.8673 41.2518 175.1872 29 R 4.1196 8.3510 125.3071 52.8580 30.7244 171.9357 30 R 3.9380 7.3215 119.0438 56.1352 30.6170 175.8001 31 I 4.0839 8.6138 127.8717 60.6218 38.7735 176.1731 32 T 4.6314 7.6302 116.9047 62.2755 70.2199 173.2385 33 S 4.2351 7.4300 116.1987 59.2144 63.1503 174.4459 34 S 4.2342 8.5792 119.8204 60.1225 62.2877 174.5235 35 K 4.3166 7.6787 119.2621 57.0827 32.3719 175.4795 36 C 4.5434 7.9717 117.8571 56.2769 40.4714 172.8936 37 P 4.1878 0.0000 0.0000 65.0158 31.2444 176.5343 38 K 4.6573 7.4656 114.7112 54.8506 36.1759 175.6042 39 E 4.4400 8.5165 121.6022 56.1187 31.2488 174.7360 40 A 4.0490 7.5988 121.1428 52.0017 23.9543 174.9695 41 V 4.3549 7.7011 117.6733 61.1859 34.0221 175.8921 42 I 4.6520 7.6075 129.5097 59.9854 35.7483 174.9187 43 F 5.2664 8.7213 122.8725 57.6574 38.4147 173.4605 44 K 4.1395 9.1672 121.7801 56.5298 32.3833 177.6600 45 T 5.1877 8.2268 117.5059 61.1432 68.7465 173.9283 46 I 4.0793 8.3692 112.4568 63.0826 38.4581 176.6154 47 V 3.9476 7.8264 118.3506 61.1987 31.3361 175.9052 48 A 3.7110 8.0828 120.4938 53.2047 15.2880 179.1884 49 K 4.3110 7.8056 122.2107 56.2452 31.5535 174.0568 50 E 4.2830 8.6490 123.1451 56.8131 30.4897 176.2638 51 I 4.5153 8.4334 126.7053 59.3991 39.5940 174.8677 52 C 5.6511 9.2492 125.4056 56.7708 35.4892 172.8091 53 A 5.4367 8.5947 124.5566 49.7003 22.7436 174.5160 54 D 3.8334 8.7783 121.0018 53.4651 41.2523 175.3933 55 P 4.0871 0.0000 0.0000 65.0546 31.4595 177.1283 56 K 4.2021 7.8790 117.0496 56.6244 31.5343 176.5314 57 Q 4.3960 7.6410 120.0125 55.0641 29.1960 176.1744 58 K 4.1819 8.5809 118.6072 57.1776 32.3873 177.6919 59 W 4.6657 7.9297 115.8300 58.5524 28.9883 177.8589 60 V 3.1616 6.5182 117.3582 64.2873 30.8121 177.4540 61 Q 3.9623 7.1603 117.3150 58.6066 28.4722 177.4493 62 D 4.5326 7.4140 116.7799 56.9335 41.2621 178.9782 63 S 4.0890 7.9107 115.5203 61.9480 62.9567 176.3091 64 M 3.7127 7.9449 120.7149 58.6711 31.6543 177.8864 65 D 4.3567 7.6573 117.6007 57.1116 40.9882 178.0722 66 H 4.1499 8.0430 117.9315 58.9060 29.8386 176.6426 67 L 4.3922 7.7919 119.2010 56.7366 42.1628 177.8544 68 D 4.7840 8.1017 116.9572 55.6727 41.4930 175.9323 69 K 4.7577 7.9401 118.6922 56.9887 32.9639 177.0204 70 Q 4.2951 8.3600 118.1497 58.5563 30.2546 175.9619 71 T 4.2631 7.8067 110.0528 61.5716 67.3271 173.9738 72 Q 4.2009 7.8670 119.5148 55.3671 28.1950 175.7846 73 T 4.3371 8.0889 121.3545 60.7462 68.4100 172.8968 74 P 4.1952 0.0000 0.0000 62.0141 31.6753 176.7425 75 K 3.8724 8.7667 125.1805 57.0624 32.5012 176.4176 76 T 4.1938 8.4625 115.2728 61.7779 68.9408 174.2761 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 Q 8.33 4.23 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.20 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 2 P 0.00 4.17 0.00 2.28 2.16 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 3 D 8.52 4.66 0.00 2.68 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 4 A 7.23 4.60 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 0.00 0.00 0.00 0.00 0.00 5 I 7.62 4.12 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 1.47 0.62 0.91 0.00 0.00 6 N 7.87 4.64 0.00 2.82 2.86 0.00 0.00 5.86 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 7 A 7.31 4.67 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 8 P 0.00 4.30 0.00 2.18 2.12 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 9 V 8.01 3.86 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 0.84 0.00 0.00 0.91 0.00 0.00 10 T 8.28 3.81 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 1.17 0.00 0.00 11 C 8.19 5.01 0.00 2.72 2.91 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 12 C 8.22 4.72 0.00 2.83 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 13 Y 8.01 4.77 0.00 2.86 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 14 N 7.51 4.81 0.00 2.58 2.67 0.00 0.00 6.70 7.46 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 15 F 8.24 5.64 0.00 3.18 3.08 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 0.00 0.00 0.00 16 T 9.08 3.90 4.45 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 1.73 0.00 0.00 17 N 8.87 5.18 0.00 2.86 2.84 0.00 0.00 7.17 7.73 0.00 0.00 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 R 6.90 4.27 0.00 1.69 1.56 0.00 3.19 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 19 K 7.83 2.48 0.00 1.46 1.61 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.12 1.23 7.81 20 I 5.42 3.60 1.64 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.32 0.89 0.00 0.00 21 S 8.68 3.97 0.00 3.78 3.74 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 22 V 8.58 3.65 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 0.61 0.00 0.00 0.76 0.00 0.00 23 Q 8.09 3.97 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.06 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 24 R 7.92 3.95 0.00 1.99 2.04 0.00 3.28 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 25 L 7.44 4.67 0.00 1.85 1.65 -0.33 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.72 4.27 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.68 4.73 0.00 4.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.55 5.30 0.00 2.97 2.97 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 29 R 8.35 4.12 0.00 1.69 1.67 0.00 3.17 0.00 0.00 3.03 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.40 0.00 30 R 7.32 3.94 0.00 1.84 1.84 0.00 3.33 0.00 0.00 3.31 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.89 0.00 31 I 8.61 4.08 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.48 0.93 0.00 0.00 32 T 7.63 4.63 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 1.26 0.00 0.00 33 S 7.43 4.24 0.00 3.86 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 34 S 8.58 4.23 0.00 3.86 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 35 K 7.68 4.32 0.00 1.78 1.80 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.54 7.81 36 C 7.97 4.54 0.00 3.19 3.16 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 0.00 0.00 0.00 0.00 37 P 0.00 4.19 0.00 2.12 2.19 0.00 3.71 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 38 K 7.47 4.66 0.00 1.95 1.91 0.00 2.11 0.00 0.00 1.82 0.00 0.00 3.10 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.56 7.81 39 E 8.52 4.44 0.00 1.78 1.84 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 2.28 2.29 0.00 40 A 7.60 4.05 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 41 V 7.70 4.35 1.53 0.00 0.00 0.00 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 0.59 0.00 0.00 42 I 7.61 4.65 1.96 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 1.28 0.69 0.94 0.00 0.00 43 F 8.72 5.27 0.00 3.38 3.08 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 0.00 0.00 0.00 44 K 9.17 4.14 0.00 1.82 1.87 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.44 7.81 45 T 8.23 5.19 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 1.35 0.00 0.00 46 I 8.37 4.08 1.89 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 1.49 0.91 1.00 0.00 0.00 47 V 7.83 3.95 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 0.85 0.00 0.00 0.95 0.00 0.00 48 A 8.08 3.71 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 4.31 0.00 1.93 1.78 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.45 7.81 50 E 8.65 4.28 0.00 1.92 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 2.35 2.40 0.00 51 I 8.43 4.52 2.21 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.20 1.08 0.00 0.00 52 C 9.25 5.65 0.00 3.07 3.46 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 0.00 53 A 8.59 5.44 1.38 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 0.00 0.00 0.00 54 D 8.78 3.83 0.00 2.56 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.09 0.00 2.04 1.97 0.00 3.17 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.90 0.00 56 K 7.88 4.20 0.00 1.96 1.81 0.00 1.50 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.44 7.81 57 Q 7.64 4.40 0.00 2.18 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.73 0.00 58 K 8.58 4.18 0.00 1.92 1.86 0.00 1.52 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.53 7.81 59 W 7.93 4.67 0.00 3.66 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.52 3.16 1.62 0.00 0.00 0.00 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 -0.86 0.00 0.00 61 Q 7.16 3.96 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.64 0.00 0.00 0.00 0.00 0.00 2.28 2.53 0.00 62 D 7.41 4.53 0.00 2.72 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 63 S 7.91 4.09 0.00 3.55 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 64 M 7.94 3.71 0.00 1.86 1.72 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.99 0.00 65 D 7.66 4.36 0.00 3.09 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 66 H 8.04 4.15 0.00 3.13 3.52 0.00 5.94 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.79 4.39 0.00 1.97 1.98 1.33 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.10 4.78 0.00 2.95 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 69 K 7.94 4.76 0.00 1.86 1.80 0.00 1.63 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.32 7.81 70 Q 8.36 4.30 0.00 2.13 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.30 0.00 0.00 0.00 0.00 0.00 2.29 2.58 0.00 71 T 7.81 4.26 4.26 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 1.23 0.00 0.00 72 Q 7.87 4.20 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 73 T 8.09 4.34 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 1.21 0.00 0.00 74 P 0.00 4.20 0.00 2.04 2.01 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 75 K 8.77 3.87 0.00 1.71 1.74 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.44 7.81 76 T 8.46 4.19 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 1.25 0.00 0.00