NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.6932 8.1593 115.5123 62.0746 68.5205 172.7275 6 I 4.5758 9.0435 121.8240 58.2425 41.2802 172.3757 7 R 5.2483 8.6999 124.0852 54.2788 31.8127 176.8563 8 V 4.6933 8.8411 124.7327 60.0941 35.6779 174.0140 9 I 4.8612 8.9392 122.8916 59.6412 40.1067 174.5559 10 V 4.6231 8.6185 127.6294 61.2404 33.5508 174.5437 11 S 4.9031 8.8108 125.0219 57.8673 64.0096 173.8445 12 V 4.6807 8.2364 117.6549 59.3807 35.0652 175.0680 13 D 4.6827 8.9683 123.6712 52.8533 41.3625 177.4871 14 K 4.0706 8.9129 126.3640 58.8363 32.3363 178.3695 15 A 4.2358 7.9465 120.8884 53.9209 18.5130 178.1078 16 K 4.6188 8.2975 112.1063 55.6331 33.9338 175.6192 17 F 5.1129 8.1709 120.8441 56.1376 41.8171 173.8404 18 N 4.7633 8.3432 125.2387 50.0811 41.4548 173.2792 19 P 4.2178 0.0000 0.0000 66.4665 29.5788 177.7946 20 H 4.2836 8.6857 115.0106 57.4170 28.5256 177.1989 21 E 4.1175 8.1015 121.9753 59.5295 29.2850 179.6033 22 V 3.7194 7.5133 112.3287 63.9836 31.4620 178.1544 23 L 4.4767 6.9459 121.7648 57.5555 41.5858 179.0450 24 G 3.8705 7.8111 105.0081 46.9591 0.0000 174.0035 25 I 4.2814 7.5614 111.5850 60.4276 37.8483 176.0434 26 G 3.8139 8.6084 107.9638 46.2758 0.0000 173.7679 27 G 4.3043 7.9380 107.6411 44.6128 0.0000 172.4069 28 H 5.2748 8.8762 114.1808 53.7461 32.3998 172.8904 29 I 4.1203 8.3988 121.1387 61.8723 37.1311 175.6759 30 V 4.1010 9.1770 128.1227 64.8126 32.4163 175.6590 31 Y 4.5850 7.6202 120.6815 56.3917 42.2234 172.7670 32 Q 4.6322 7.9132 125.9145 54.3968 30.0386 175.5334 33 F 4.3998 8.8097 124.1580 57.4560 39.0425 176.3266 34 K 4.1716 9.0557 122.7922 58.6664 32.2696 177.9382 35 L 4.6123 8.0992 116.3898 54.5661 43.0304 176.1520 36 I 4.6963 7.4353 110.4832 58.1164 40.8124 174.0966 37 P 4.7273 0.0000 0.0000 61.7237 29.7436 174.4196 38 A 5.2028 7.8103 128.1022 51.6221 23.4491 175.4237 39 V 5.0394 8.6319 118.1463 60.2577 35.4127 174.1636 40 V 4.6551 9.3067 124.3606 62.0946 33.1027 175.0862 41 V 4.9734 8.8831 120.2579 59.8120 35.9471 173.9212 42 D 5.2397 8.8142 124.0961 53.0343 42.6695 176.1055 43 V 4.5474 8.6450 116.4823 58.4213 36.0319 173.7132 44 P 4.4973 0.0000 0.0000 62.4884 31.8534 177.4593 45 A 4.0239 8.8426 125.5127 55.4457 18.2290 178.1625 46 N 4.6120 8.1692 109.4873 53.6117 37.9343 175.7207 47 A 4.6160 8.1602 120.9902 52.0232 19.4528 178.4696 48 V 3.5739 7.7701 119.5101 66.4309 31.3620 178.1368 49 G 3.6665 8.0562 103.5155 47.7214 0.0000 174.9823 50 K 4.0918 7.9856 121.5321 59.1641 32.3487 178.3709 51 L 3.9837 8.1902 120.8682 58.2234 41.7880 179.0640 52 K 4.0818 7.9616 116.9060 58.4121 32.0236 178.3007 53 K 4.3590 7.6751 116.8127 55.6543 32.9921 176.4635 54 M 4.2941 7.4528 120.5889 53.9777 32.9447 173.6066 55 P 4.2962 0.0000 0.0000 64.3720 31.8796 177.0367 56 G 3.9898 8.9897 108.6066 45.6135 0.0000 173.0675 57 V 4.0109 7.5090 120.2435 62.8719 31.4757 174.9670 58 E 4.4428 8.9394 127.9999 57.8946 30.8387 176.9350 59 K 4.5674 7.6644 118.8517 54.8859 36.0193 174.7657 60 V 4.6685 8.3340 126.2369 61.0808 33.8368 174.2789 61 E 4.6926 8.8890 127.1593 54.1889 32.6817 175.9223 62 F 4.4340 8.7591 122.4700 57.6079 40.2829 174.3568 63 D 4.6497 8.6499 120.5753 53.6461 41.3889 175.8965 64 H 4.8208 8.6759 123.4287 54.9006 30.4105 174.4741 65 Q 4.6418 8.4618 118.6433 54.1638 31.0256 175.3337 66 A 4.8616 8.4030 123.9724 50.4377 21.8385 175.8098 67 V 4.5951 7.8174 111.7428 58.7966 35.5538 176.0174 68 L 4.1473 8.3691 121.8599 55.9574 41.0212 177.1944 69 L 4.2870 8.3342 119.4534 55.0275 41.8621 176.4418 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 5 T 8.16 4.69 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 1.24 0.00 0.00 6 I 9.04 4.58 1.99 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.29 0.98 0.00 0.00 7 R 8.70 5.25 0.00 1.95 1.89 0.00 3.02 0.00 0.00 3.95 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.47 0.00 8 V 8.84 4.69 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.66 0.00 0.00 9 I 8.94 4.86 1.87 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 1.23 0.80 0.98 0.00 0.00 10 V 8.62 4.62 1.90 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 0.86 0.00 0.00 0.90 0.00 0.00 11 S 8.81 4.90 0.00 3.72 3.67 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 12 V 8.24 4.68 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.70 0.00 0.00 0.71 0.00 0.00 13 D 8.97 4.68 0.00 2.76 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 14 K 8.91 4.07 0.00 1.79 1.91 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.60 7.81 15 A 7.95 4.24 1.31 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 0.00 0.00 0.00 16 K 8.30 4.62 0.00 1.75 1.82 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.63 7.81 17 F 8.17 5.11 0.00 2.94 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 18 N 8.34 4.76 0.00 2.52 2.36 0.00 0.00 6.82 7.33 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 19 P 0.00 4.22 0.00 2.21 2.40 0.00 3.69 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 2.03 2.30 0.00 20 H 8.69 4.28 0.00 3.19 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.10 4.12 0.00 1.73 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 2.19 2.13 0.00 22 V 7.51 3.72 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 0.97 0.00 0.00 1.03 0.00 0.00 23 L 6.95 4.48 0.00 1.82 1.68 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.81 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 0.00 0.00 0.00 25 I 7.56 4.28 1.88 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 1.36 0.87 0.92 0.00 0.00 26 G 8.61 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 0.00 0.00 0.00 27 G 7.94 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 0.00 0.00 0.00 0.00 28 H 8.88 5.27 0.00 3.13 3.36 0.00 5.27 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 8.40 4.12 1.88 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.81 0.92 0.00 0.00 30 V 9.18 4.10 2.24 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 0.75 0.00 0.00 0.99 0.00 0.00 31 Y 7.62 4.59 0.00 2.95 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.91 4.63 0.00 1.75 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 33 F 8.81 4.40 0.00 3.19 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 34 K 9.06 4.17 0.00 1.83 1.91 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.45 7.81 35 L 8.10 4.61 0.00 1.72 1.75 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.44 4.70 1.71 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.31 0.82 0.00 0.00 37 P 0.00 4.73 0.00 2.28 2.23 0.00 3.62 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 2.01 1.94 0.00 38 A 7.81 5.20 1.06 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 0.00 0.00 39 V 8.63 5.04 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 0.59 0.00 0.00 1.06 0.00 0.00 40 V 9.31 4.66 2.24 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 0.98 0.00 0.00 1.07 0.00 0.00 41 V 8.88 4.97 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 0.74 0.00 0.00 1.00 0.00 0.00 42 D 8.81 5.24 0.00 2.22 2.49 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 43 V 8.64 4.55 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 0.72 0.00 0.00 0.98 0.00 0.00 44 P 0.00 4.50 0.00 2.19 1.99 0.00 3.63 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 45 A 8.84 4.02 1.33 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 0.00 0.00 0.00 46 N 8.17 4.61 0.00 2.86 2.96 0.00 0.00 5.83 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 47 A 8.16 4.62 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 48 V 7.77 3.57 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 0.89 0.00 0.00 0.99 0.00 0.00 49 G 8.06 3.67 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 0.00 0.00 0.00 50 K 7.99 4.09 0.00 1.91 1.89 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.50 7.81 51 L 8.19 3.98 0.00 1.91 1.78 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 52 K 7.96 4.08 0.00 1.95 1.85 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.59 7.81 53 K 7.68 4.36 0.00 1.91 1.85 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.57 7.81 54 M 7.45 4.29 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 55 P 0.00 4.30 0.00 2.41 2.06 0.00 3.89 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.96 0.00 56 G 8.99 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.51 4.01 2.28 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 0.83 0.00 0.00 1.19 0.00 0.00 58 E 8.94 4.44 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.21 0.00 59 K 7.66 4.57 0.00 1.74 1.51 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.40 7.81 60 V 8.33 4.67 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.86 0.00 0.00 61 E 8.89 4.69 0.00 1.86 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 62 F 8.76 4.43 0.00 2.84 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 63 D 8.65 4.65 0.00 2.90 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 64 H 8.68 4.82 0.00 3.20 3.25 0.00 5.89 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 8.46 4.64 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 66 A 8.40 4.86 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.82 4.60 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 0.80 0.00 0.00 0.93 0.00 0.00 68 L 8.37 4.15 0.00 1.75 1.67 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.33 4.29 0.00 1.64 1.59 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00