NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5110 8.3193 115.4164 58.3293 64.5050 173.5533 2 T 4.2140 8.8378 113.3674 60.3927 71.1636 174.5226 3 I 3.8180 8.3756 121.9150 64.4614 37.5051 179.3422 4 E 3.9323 8.2139 119.6266 59.4963 29.5716 178.6575 5 E 4.0238 8.1482 118.1910 59.4398 29.6480 179.6223 6 R 3.9972 8.1485 118.1264 59.2703 30.1859 179.3340 7 V 3.7934 8.2616 118.3321 66.1214 31.5785 178.2594 8 K 4.0555 8.2756 118.2083 59.2483 31.7911 179.3125 9 K 4.0211 8.1077 119.9128 59.4707 32.0443 179.0603 10 I 4.0277 7.7001 121.1490 63.8525 37.0202 178.4267 11 I 3.8538 8.1115 120.9169 64.4751 37.1049 178.8025 12 G 3.6681 8.2193 106.5553 47.6587 0.0000 175.7812 13 E 4.0220 8.2660 120.9353 59.3003 29.2956 179.3963 14 Q 4.0690 8.1723 117.1877 58.7597 28.9807 178.1520 15 L 4.4140 7.8939 116.5979 53.7909 42.3897 176.6381 16 G 3.9038 7.7299 105.9762 47.0345 0.0000 174.1855 17 V 4.4968 7.4595 111.2392 58.4412 34.8439 176.5963 18 K 4.2323 8.3553 122.3649 56.6160 33.5701 177.8250 19 Q 4.0292 8.8670 120.0295 59.1893 28.8369 179.1001 20 E 4.0161 8.2257 114.3215 59.1991 29.5067 177.8334 21 E 4.1169 7.9849 117.6005 57.9858 30.2956 177.5713 22 V 3.9476 7.2290 121.1675 61.7319 29.9720 175.0519 23 T 4.3109 7.2740 114.0817 60.6710 70.5683 176.4137 24 N 4.3194 8.6029 119.1366 55.7526 38.6669 176.5612 25 N 4.5820 7.9208 112.8686 52.6868 38.4851 175.2100 26 A 4.1611 7.4855 124.0788 52.2931 19.2520 176.3731 27 S 4.7751 9.5656 117.6694 56.7424 63.9683 175.1422 28 F 4.2433 8.3784 126.9533 60.9416 38.7533 178.0282 29 V 3.8072 8.0033 119.6348 66.1019 31.7022 177.8960 30 E 3.8409 8.2293 117.5630 58.7125 29.6622 177.4951 31 D 4.6800 8.0651 116.4982 55.3010 42.3112 177.0311 32 L 4.4315 7.9850 116.1831 53.7958 41.7398 176.6367 33 G 3.9149 7.7127 105.6258 46.2081 0.0000 173.9824 34 A 4.2425 8.0933 123.2620 51.7104 18.7188 179.2012 35 D 4.7650 9.4571 124.4789 52.2124 42.4871 177.5675 36 S 4.0950 8.4775 114.4232 61.9662 62.7256 176.7409 37 L 4.0614 7.9275 122.3484 58.0320 41.8293 178.3622 38 D 4.3836 8.6301 119.4550 57.4991 40.6704 178.9877 39 T 3.7007 7.6726 110.0284 64.7449 68.8148 176.6182 40 V 3.5006 7.2960 120.0994 65.8534 31.5182 177.9263 41 E 3.9860 8.2522 118.0619 59.1293 29.2904 179.0887 42 L 3.9173 8.1525 121.0447 57.8344 42.0674 179.2246 43 V 3.4493 7.8720 118.4268 66.3634 31.5480 178.0503 44 M 4.3436 8.2583 119.4809 57.7014 31.7113 178.6563 45 A 4.0208 8.0738 121.1530 55.1416 18.5461 179.6569 46 L 4.2746 8.0029 117.3337 57.7430 41.2046 179.4682 47 E 4.3363 8.2515 120.1926 58.4521 28.7745 179.0139 48 E 3.9189 8.0617 119.1505 59.2423 29.6293 178.2124 49 E 3.6876 7.9250 118.2966 58.6604 29.6607 177.4311 50 F 4.6707 8.0869 114.0967 56.3038 39.8065 175.5139 51 D 4.4036 7.6703 118.3240 54.6419 38.2871 174.1897 52 T 4.5221 7.9121 111.9011 61.1842 71.3442 171.6905 53 E 4.7637 8.8270 128.5453 54.9727 30.9977 175.2651 54 I 4.4469 8.6363 124.9476 58.6105 39.0377 174.6005 55 P 4.3127 0.0000 0.0000 62.5880 32.6672 176.8514 56 D 4.3345 8.8897 122.4070 57.7672 40.5165 179.0877 57 E 3.9513 8.0890 117.3432 59.5747 29.7557 178.9260 58 E 4.0642 8.0766 117.5796 59.4297 29.7385 178.9581 59 A 3.7975 8.1296 121.0906 55.1773 18.1398 179.1234 60 E 3.9813 8.1599 116.4153 58.4624 29.7279 178.1717 61 K 4.4959 7.9865 116.9200 56.5171 33.6885 177.3146 62 I 4.1916 7.2264 121.0246 60.5834 35.6116 175.3339 63 T 4.4182 8.1187 114.7810 62.4676 70.1981 175.3276 64 T 4.5120 7.3920 112.0436 58.7929 73.0842 174.6610 65 V 3.4746 7.6097 120.8793 66.3128 31.3630 177.9920 66 Q 3.9205 8.0211 118.8782 59.2027 28.8706 178.1088 67 A 4.0005 7.7477 120.3527 54.9573 18.3959 179.5471 68 A 3.9821 8.0587 118.9116 55.4841 18.5613 179.8363 69 I 3.5966 7.9220 118.3770 64.7788 37.2032 178.4087 70 D 4.3803 8.4060 119.8386 57.5270 40.5303 178.3392 71 Y 3.9502 8.1041 120.1148 60.5694 38.8154 177.8899 72 I 3.6588 7.7904 120.7742 64.4259 36.9266 178.2059 73 N 4.4440 7.9115 116.4286 56.2460 38.4272 177.5015 74 G 3.5559 7.9631 106.2268 46.9391 0.0000 173.9536 75 H 4.6032 7.8219 115.2915 55.1068 30.4170 174.5635 76 Q 4.0569 8.4257 121.5692 56.2496 29.3728 175.9887 77 A 4.3244 8.4875 126.4085 52.4001 19.3532 175.5748 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 S 8.32 4.51 0.00 4.14 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 2 T 8.84 4.21 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 1.27 0.00 0.00 3 I 8.38 3.82 1.88 0.00 0.00 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 1.57 1.15 0.82 0.00 0.00 4 E 8.21 3.93 0.00 2.04 1.97 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 2.40 2.42 0.00 5 E 8.15 4.02 0.00 2.29 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 2.35 2.37 0.00 6 R 8.15 4.00 0.00 2.26 2.17 0.00 3.18 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 7 V 8.26 3.79 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 1.10 0.00 0.00 0.81 0.00 0.00 8 K 8.28 4.06 0.00 1.96 1.88 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.60 7.81 9 K 8.11 4.02 0.00 2.01 1.96 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.50 7.81 10 I 7.70 4.03 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.15 0.96 0.00 0.00 11 I 8.11 3.85 2.12 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.92 1.11 0.00 0.00 12 G 8.22 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 13 E 8.27 4.02 0.00 2.18 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 2.34 2.64 0.00 14 Q 8.17 4.07 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.84 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 15 L 7.89 4.41 0.00 1.68 1.75 1.07 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.73 3.90 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 0.00 0.00 0.00 17 V 7.46 4.50 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 0.83 0.00 0.00 0.97 0.00 0.00 18 K 8.36 4.23 0.00 2.08 1.95 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.63 1.47 7.81 19 Q 8.87 4.03 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.33 0.00 20 E 8.23 4.02 0.00 2.07 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 0.00 2.28 2.29 0.00 21 E 7.98 4.12 0.00 2.14 2.05 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 2.34 2.24 0.00 22 V 7.23 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 0.82 0.00 0.00 1.02 0.00 0.00 23 T 7.27 4.31 4.22 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 1.20 0.00 0.00 24 N 8.60 4.32 0.00 2.83 3.06 0.00 0.00 6.50 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 25 N 7.92 4.58 0.00 2.76 2.89 0.00 0.00 6.00 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 26 A 7.49 4.16 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 27 S 9.57 4.78 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 28 F 8.38 4.24 0.00 3.25 3.03 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 0.00 0.00 0.00 29 V 8.00 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 1.02 0.00 0.00 0.99 0.00 0.00 30 E 8.23 3.84 0.00 1.99 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 2.34 0.00 31 D 8.07 4.68 0.00 2.75 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 32 L 7.99 4.43 0.00 1.92 1.75 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.71 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 0.00 0.00 0.00 34 A 8.09 4.24 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 35 D 9.46 4.76 0.00 2.91 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 36 S 8.48 4.09 0.00 3.88 3.95 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 0.00 0.00 0.00 37 L 7.93 4.06 0.00 1.74 1.79 0.91 1.25 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 38 D 8.63 4.38 0.00 2.91 2.69 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 39 T 7.67 3.70 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 1.18 0.00 0.00 40 V 7.30 3.50 2.19 0.00 0.00 0.00 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 0.95 0.00 0.00 41 E 8.25 3.99 0.00 2.03 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 2.31 2.47 0.00 42 L 8.15 3.92 0.00 1.68 1.68 0.85 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.87 3.45 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 0.93 0.00 0.00 0.85 0.00 0.00 44 M 8.26 4.34 0.00 2.11 2.08 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 2.75 2.39 0.00 45 A 8.07 4.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.00 4.27 0.00 1.78 1.88 0.90 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.25 4.34 0.00 2.18 2.06 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 2.54 2.39 0.00 48 E 8.06 3.92 0.00 2.07 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 0.00 2.27 2.30 0.00 49 E 7.92 3.69 0.00 1.78 1.72 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 1.78 1.47 0.00 50 F 8.09 4.67 0.00 3.25 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 51 D 7.67 4.40 0.00 2.87 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 52 T 7.91 4.52 4.36 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 1.39 0.00 0.00 53 E 8.83 4.76 0.00 2.02 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 2.28 0.00 54 I 8.64 4.45 1.69 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.57 0.43 0.00 0.00 55 P 0.00 4.31 0.00 2.15 1.98 0.00 3.65 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.20 0.00 56 D 8.89 4.33 0.00 2.66 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 57 E 8.09 3.95 0.00 1.93 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 2.31 2.41 0.00 58 E 8.08 4.06 0.00 2.08 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 2.43 2.38 0.00 59 A 8.13 3.80 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 60 E 8.16 3.98 0.00 2.08 2.17 0.00 0.00 0.00 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 2.34 0.00 61 K 7.99 4.50 0.00 1.89 1.85 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.63 7.81 62 I 7.23 4.19 1.96 0.00 0.00 0.54 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 0.57 1.07 0.00 0.00 63 T 8.12 4.42 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 1.30 0.00 0.00 64 T 7.39 4.51 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 1.10 0.00 0.00 65 V 7.61 3.47 2.20 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 0.99 0.00 0.00 0.74 0.00 0.00 66 Q 8.02 3.92 0.00 2.38 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 67 A 7.75 4.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.06 3.98 1.57 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 0.00 0.00 69 I 7.92 3.60 2.00 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 1.52 0.65 0.89 0.00 0.00 70 D 8.41 4.38 0.00 2.87 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 71 Y 8.10 3.95 0.00 3.23 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 72 I 7.79 3.66 1.56 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.16 -0.01 0.00 0.00 73 N 7.91 4.44 0.00 2.66 2.83 0.00 0.00 7.06 7.79 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 74 G 7.96 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 H 7.82 4.60 0.00 2.78 3.18 0.00 5.87 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.43 4.06 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.48 2.68 0.00 77 A 8.49 4.32 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