NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.1199 8.3149 120.1207 56.0213 32.6452 173.3218 3 K 3.9782 7.9837 121.4214 55.1521 32.7967 171.0075 4 V 4.3175 9.2646 125.9597 62.7913 32.5807 175.6069 5 V 4.3294 8.7572 120.6721 61.9827 33.1396 175.8343 6 A 4.4275 7.4040 120.1296 50.6543 22.5308 175.5171 7 V 4.5080 8.2494 120.3228 61.1490 33.7245 174.8410 8 V 4.0427 8.9502 129.7273 61.6788 32.8989 174.6413 9 K 4.9124 8.5799 127.6553 55.0030 33.4619 175.6477 10 L 4.8565 8.8020 124.6028 52.8322 45.9849 175.5907 11 Q 5.0350 8.4557 118.0772 54.3756 31.7924 175.0122 12 L 4.8842 8.8574 123.7913 51.9231 45.9129 174.5534 13 P 4.8265 0.0000 0.0000 62.1168 32.7033 175.9337 14 A 4.1130 8.7590 127.4148 53.7977 18.6383 178.0005 15 G 3.9009 8.9467 110.2078 46.0952 0.0000 173.7234 16 A 4.7037 8.0673 120.3432 51.3255 19.4665 176.9984 17 A 4.1003 8.4410 122.4555 53.8769 18.8642 178.1445 18 T 4.7554 7.9207 110.8436 59.1676 71.9436 172.2585 19 P 4.3212 0.0000 0.0000 63.7553 31.8609 176.2745 20 A 4.2378 7.7115 123.2158 50.5895 19.3723 175.0013 21 P 4.6361 0.0000 0.0000 62.3497 31.9398 175.5913 22 P 4.3750 0.0000 0.0000 64.9561 32.2936 178.6998 23 V 3.4666 7.9255 118.8986 66.2264 31.2886 177.1714 24 G 3.8046 8.3954 106.5062 47.1457 0.0000 173.5773 25 P 4.1680 0.0000 0.0000 64.8710 31.2550 178.4988 26 A 3.8590 7.6675 119.6643 54.9440 18.7582 179.2306 27 L 4.0613 7.9661 117.6085 57.4114 41.8617 179.6485 28 G 3.6393 8.2308 106.0261 47.7797 0.0000 175.2314 29 Q 3.8644 7.8318 121.2883 58.8375 29.0576 176.9003 30 H 4.6762 8.0451 111.4709 55.2444 29.0184 175.1646 31 G 3.8469 8.1100 106.7163 45.8366 0.0000 174.1499 32 A 4.5680 7.4626 120.9460 50.5192 19.3662 179.0477 33 N 4.6016 8.7476 118.6572 53.0530 38.4862 175.7803 34 I 3.5984 8.1999 128.7405 64.7839 37.3497 178.0057 35 M 4.0987 8.1364 118.6773 58.0912 31.8020 178.3115 36 E 4.0337 8.4779 119.3103 59.1994 29.8182 178.5862 37 F 4.2586 8.3576 120.6511 61.2984 39.4072 177.0029 38 V 3.3810 8.0374 117.9809 66.0049 31.3186 178.0262 39 K 3.9078 8.3025 117.9638 59.4790 31.9122 179.2840 40 A 4.0638 8.1143 120.8982 55.0494 18.3705 179.3641 41 F 3.7327 8.1669 119.5508 61.5310 39.1119 177.1373 42 N 4.2627 8.0766 114.4467 56.0723 38.1980 177.0578 43 A 4.0704 8.1099 122.0231 55.1798 18.3226 179.6416 44 A 4.0005 8.0479 118.2562 54.3407 18.5436 178.9281 45 T 4.2544 7.2629 106.2418 61.5242 68.8704 176.2704 46 A 3.9794 7.5355 126.0217 55.0824 18.4881 178.6351 47 N 4.9146 7.9455 111.5900 53.7496 39.0325 175.2593 48 M 4.4963 7.8543 116.3755 54.4095 34.0164 177.8330 49 G 3.9673 7.7358 110.3760 47.2546 0.0000 174.3808 50 D 4.8589 8.9602 121.4454 53.4288 41.3164 175.6449 51 A 3.9049 7.6047 122.2047 52.0835 19.7787 177.5874 52 I 4.0971 7.3840 121.6729 60.8499 38.8012 175.0628 53 V 4.3588 8.9665 127.9753 60.3679 33.4378 173.0053 54 P 5.0269 0.0000 0.0000 62.6426 32.6322 176.0674 55 V 5.1254 8.8672 122.6175 60.2256 35.4522 173.7403 56 E 5.0537 9.5130 123.3476 54.7768 32.3458 174.8017 57 I 4.8128 8.9898 126.3755 60.0259 39.5181 174.8286 58 T 4.6913 9.0097 125.2279 62.2242 70.1932 173.8169 59 I 4.6828 8.3921 128.1190 59.7394 39.8923 175.3388 60 Y 5.0937 8.8795 124.6160 56.3669 39.8605 176.7291 61 A 4.1309 9.0663 123.7552 54.5977 18.4907 178.2832 62 D 4.7747 8.2670 113.4598 53.0812 39.6028 177.5346 63 R 4.2695 8.3735 120.0975 56.1581 29.3743 176.2982 64 S 4.6319 8.1258 113.1509 58.7508 64.2502 173.1431 65 F 5.5444 8.2123 114.6242 56.1509 40.8335 172.9144 66 T 5.0707 9.1996 109.4652 60.2163 72.5627 172.3758 67 F 5.7023 8.4777 115.5615 55.5915 41.4902 173.8022 68 V 4.6210 8.9461 119.2480 61.4582 34.7691 174.2579 69 T 5.1910 8.7762 117.1392 60.4295 70.9139 173.7524 70 K 4.7946 8.8728 123.3706 54.3737 35.2590 176.0430 71 T 4.0514 8.3827 111.2300 60.7516 69.3316 172.4958 72 P 4.3463 0.0000 0.0000 61.5725 32.0485 174.5727 73 P 4.3970 0.0000 0.0000 62.3297 32.3269 177.0465 74 A 4.1098 8.9530 124.5390 55.7248 18.1482 179.7586 75 S 4.0331 8.2526 108.0843 61.8855 62.3087 175.1781 76 Y 3.6736 7.4573 118.3229 60.9689 39.0834 177.1483 77 L 3.9373 7.7869 124.4720 58.0022 41.3900 177.6113 78 I 3.8244 7.5989 124.2176 61.2647 37.8034 175.1199 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 2 K 8.31 4.12 0.00 1.56 1.08 0.00 1.50 0.00 0.00 1.50 0.00 0.00 2.29 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.79 1.23 7.81 3 K 7.98 3.98 0.00 1.93 1.81 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.56 1.46 7.81 4 V 9.26 4.32 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 0.71 0.00 0.00 1.03 0.00 0.00 5 V 8.76 4.33 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.99 0.00 0.00 6 A 7.40 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.25 4.51 2.04 0.00 0.00 0.00 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 0.88 0.00 0.00 8 V 8.95 4.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.82 0.00 0.00 9 K 8.58 4.91 0.00 1.64 1.71 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.22 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.42 7.81 10 L 8.80 4.86 0.00 1.43 1.41 0.61 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.46 5.03 0.00 1.86 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 12 L 8.86 4.88 0.00 1.36 1.40 0.31 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.83 0.00 2.11 1.99 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 14 A 8.76 4.11 1.36 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 0.00 0.00 0.00 15 G 8.95 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 16 A 8.07 4.70 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.44 4.10 1.16 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 0.00 0.00 18 T 7.92 4.76 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 1.25 0.00 0.00 19 P 0.00 4.32 0.00 2.23 2.33 0.00 3.68 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 20 A 7.71 4.24 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 21 P 0.00 4.64 0.00 2.02 1.96 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 22 P 0.00 4.37 0.00 2.12 2.23 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.87 0.00 23 V 7.93 3.47 2.29 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 1.07 0.00 0.00 0.90 0.00 0.00 24 G 8.40 3.80 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 0.00 0.00 0.00 25 P 0.00 4.17 0.00 2.21 2.27 0.00 3.70 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 2.21 1.98 0.00 26 A 7.67 3.86 1.24 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 0.00 0.00 0.00 27 L 7.97 4.06 0.00 1.66 1.46 0.32 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.23 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.83 3.86 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.04 0.00 0.00 0.00 0.00 0.00 2.06 2.21 0.00 30 H 8.05 4.68 0.00 3.12 3.24 0.00 5.82 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.11 3.85 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 0.00 0.00 0.00 32 A 7.46 4.57 1.16 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 0.00 0.00 33 N 8.75 4.60 0.00 2.95 3.10 0.00 0.00 7.01 7.84 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 34 I 8.20 3.60 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.61 0.90 0.00 0.00 35 M 8.14 4.10 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.56 0.00 36 E 8.48 4.03 0.00 2.28 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.62 0.00 37 F 8.36 4.26 0.00 2.74 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.04 3.38 2.22 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 1.00 0.00 0.00 1.00 0.00 0.00 39 K 8.30 3.91 0.00 2.05 1.87 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.63 7.81 40 A 8.11 4.06 1.66 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 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.17 3.73 0.00 1.51 2.26 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 0.00 42 N 8.08 4.26 0.00 2.79 2.86 0.00 0.00 7.08 6.86 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 43 A 8.11 4.07 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 44 A 8.05 4.00 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 45 T 7.26 4.25 3.93 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 0.00 0.00 0.48 0.00 0.00 46 A 7.54 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.95 4.91 0.00 2.68 2.81 0.00 0.00 6.78 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 48 M 7.85 4.50 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 49 G 7.74 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 50 D 8.96 4.86 0.00 2.71 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 51 A 7.60 3.90 1.12 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 52 I 7.38 4.10 1.61 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 1.10 1.38 0.87 0.00 0.00 53 V 8.97 4.36 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 1.23 0.00 0.00 0.96 0.00 0.00 54 P 0.00 5.03 0.00 2.16 1.98 0.00 3.81 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.09 0.00 55 V 8.87 5.13 2.48 0.00 0.00 0.00 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 1.41 0.00 0.00 56 E 9.51 5.05 0.00 1.97 1.91 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 2.23 2.29 0.00 57 I 8.99 4.81 1.60 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.56 0.75 0.00 0.00 58 T 9.01 4.69 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 59 I 8.39 4.68 1.72 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.52 0.93 0.00 0.00 60 Y 8.88 5.09 0.00 3.03 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 61 A 9.07 4.13 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 62 D 8.27 4.77 0.00 2.82 2.79 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 0.00 0.00 0.00 63 R 8.37 4.27 0.00 2.14 2.54 0.00 3.17 0.00 0.00 3.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 64 S 8.13 4.63 0.00 3.98 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.21 5.54 0.00 3.15 3.05 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 66 T 9.20 5.07 4.31 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 1.31 0.00 0.00 67 F 8.48 5.70 0.00 3.39 3.34 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 68 V 8.95 4.62 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 1.13 0.00 0.00 0.95 0.00 0.00 69 T 8.78 5.19 4.37 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 1.55 0.00 0.00 70 K 8.87 4.79 0.00 1.63 1.81 0.00 1.75 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.54 7.81 71 T 8.38 4.05 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 1.23 0.00 0.00 72 P 0.00 4.35 0.00 2.15 1.77 0.00 3.76 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 73 P 0.00 4.40 0.00 2.24 2.00 0.00 3.55 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 2.12 2.09 0.00 74 A 8.95 4.11 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 75 S 8.25 4.03 0.00 4.03 4.06 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 76 Y 7.46 3.67 0.00 2.93 3.12 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 77 L 7.79 3.94 0.00 1.87 1.95 1.05 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.60 3.82 2.14 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 1.16 0.82 0.92 0.00 0.00