NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 T 4.2029 8.1749 110.9390 61.8377 70.1601 170.5778 11 K 4.0298 8.7629 123.5525 56.4290 31.3579 174.1270 12 N 5.2417 8.4385 119.5239 50.8687 44.3479 177.7286 13 G 3.9976 7.9227 109.9803 44.3985 0.0000 175.9149 14 R 4.0623 8.4854 128.4309 55.1274 29.2419 173.2043 15 D 4.9155 8.1352 121.7251 52.7812 44.7241 174.3185 16 S 4.5139 7.8729 114.7613 57.9998 64.6993 172.8883 17 Q 3.9459 9.9271 123.5493 56.3199 29.5619 173.7879 18 A 4.0502 7.2980 117.2902 52.4409 16.7421 178.8481 19 K 3.7354 7.7455 112.7881 57.5448 28.6650 174.2383 20 R 4.1804 8.0488 124.6862 56.8153 31.0875 177.2544 21 L 3.3171 9.2075 123.3116 55.4563 41.5515 176.2567 22 G 3.7553 9.0328 109.2040 46.9178 0.0000 175.5947 23 V 4.0279 7.4865 120.9229 63.2226 29.6952 175.4487 24 K 4.4508 8.2933 123.1636 56.2339 35.0952 175.3284 25 R 3.7363 8.8083 122.5173 56.3925 27.3924 175.3841 26 Y 4.1999 8.8440 120.7074 57.2016 38.3040 175.7406 27 E 3.2140 8.5539 119.6334 56.4086 29.3055 178.1425 28 G 4.2137 9.0062 118.5525 45.7596 0.0000 171.5443 29 Q 4.4013 7.3323 123.8251 54.1265 32.0632 175.7089 30 V 4.3040 8.1722 119.5634 62.0967 32.2646 176.3161 31 V 4.3557 7.8591 111.8978 60.6889 36.2676 172.3105 32 R 5.2798 8.5279 124.1823 54.8676 32.5540 172.6394 33 A 4.0788 9.2923 131.2510 52.4812 18.1267 177.5753 34 G 4.1733 7.5475 103.1393 45.0639 0.0000 173.0322 35 N 4.8286 8.6435 120.2853 51.5647 38.0460 174.4855 36 I 3.9515 8.2128 123.2654 63.6148 38.1395 172.8929 37 L 4.4400 8.9239 122.3042 56.4960 42.5589 177.9128 38 V 4.0180 8.8145 122.3132 62.2726 31.5355 173.2547 39 R 4.6260 8.2672 124.8865 56.0035 30.3341 174.1544 40 Q 4.6246 8.5555 130.0708 55.8817 34.1263 171.4984 41 R 3.5775 8.7400 122.6402 54.4400 35.0498 177.3383 42 G 3.5281 8.7622 106.9383 44.6657 0.0000 174.0343 43 T 4.9227 7.6290 126.6421 63.6487 73.1085 171.1852 44 R 4.4785 8.5489 131.9766 54.7885 30.8228 176.5754 45 F 4.8669 8.9846 116.0417 56.7032 39.4656 173.2828 46 K 4.6244 8.0950 117.6442 53.6866 35.9815 174.8581 47 P 4.2317 0.0000 0.0000 62.8283 31.7129 176.3812 48 G 4.3500 8.2326 114.0851 42.8342 0.0000 172.3365 49 K 3.9842 8.2873 117.9298 57.6603 32.4995 178.5210 50 N 4.4509 8.9260 120.8775 54.0344 37.7557 174.7815 51 V 3.6079 7.7648 118.4632 62.7473 31.9985 175.7654 52 G 3.7607 8.0558 114.6031 44.6727 0.0000 172.5322 53 M 4.3447 7.8361 123.2541 53.9196 35.3210 174.9620 54 G 4.1041 8.3235 101.4007 45.5344 0.0000 173.6334 55 R 4.1494 8.8831 123.2003 56.8302 30.2596 175.4700 56 D 4.3812 9.3128 116.1999 55.1645 37.4068 173.4385 57 F 3.5150 6.2083 122.2676 57.2503 39.8095 174.6880 58 T 4.0165 7.6552 117.0528 59.9026 66.5635 172.3331 59 L 4.6813 9.1225 126.9012 53.4490 44.0320 176.1979 60 F 5.1149 7.6605 115.3832 55.4374 41.8413 173.1137 61 A 4.2135 8.6668 121.7755 52.7800 18.0174 177.8514 62 L 3.6100 8.3831 129.6219 57.3940 41.9366 178.3318 63 V 3.6429 6.6376 120.2646 63.2540 31.7431 176.1597 64 D 5.2120 7.7511 117.3361 54.7774 45.3957 174.4788 65 G 3.7302 8.2231 104.3639 44.3874 0.0000 172.4981 66 V 4.9295 7.4455 109.9210 58.9173 34.7045 175.3662 67 V 4.0328 7.5943 123.0532 61.7754 32.9783 175.5705 68 E 4.4165 8.7182 129.5054 56.2699 28.1346 173.7919 69 F 4.7425 8.4299 124.6654 56.4506 38.6768 174.7090 70 Q 4.6161 9.0964 131.1857 55.3431 34.9448 173.3341 71 D 4.8863 8.4912 126.0952 53.8471 41.8505 174.3906 72 R 4.5680 8.2728 117.3042 55.8019 34.5513 175.9649 73 G 3.9017 8.7507 111.5761 46.6108 0.0000 174.5113 74 R 4.4514 8.6394 122.5098 56.7514 32.3506 175.5868 75 L 4.3168 8.1208 114.6211 55.6096 41.8247 176.3064 76 G 4.0677 7.6406 107.1965 44.6761 0.0000 172.5497 77 R 4.6252 7.8775 117.9952 54.4211 32.9874 174.6135 78 Y 4.8410 8.3031 120.4355 56.7131 42.1496 175.9439 79 V 4.7373 8.0931 112.9843 62.1415 34.5374 172.7505 80 H 4.5768 8.5976 124.1252 53.2772 27.8603 173.6569 81 V 4.4322 8.0251 120.2111 63.0085 32.4411 175.2728 82 R 4.2958 8.6843 127.1257 55.1624 30.8364 175.1564 83 P 4.5846 0.0000 0.0000 62.0153 30.1584 174.9136 84 L 4.5248 9.2280 120.9757 51.6450 39.3860 171.9076 85 A 4.1051 8.0861 126.1629 53.0892 19.0208 177.0262 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 10 T 8.17 4.20 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 11 K 8.76 4.03 0.00 2.04 1.96 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.52 7.81 12 N 8.44 5.24 0.00 2.66 2.69 0.00 0.00 7.00 7.65 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 13 G 7.92 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.49 4.06 0.00 1.89 2.22 0.00 3.32 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.36 0.00 15 D 8.14 4.92 0.00 2.57 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 0.00 0.00 0.00 0.00 16 S 7.87 4.51 0.00 3.82 3.72 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 17 Q 9.93 3.95 0.00 2.13 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.08 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 18 A 7.30 4.05 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.75 3.74 0.00 1.94 2.07 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.44 7.81 20 R 8.05 4.18 0.00 1.97 2.03 0.00 3.61 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.77 0.00 21 L 9.21 3.32 0.00 1.75 1.07 1.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 22 G 9.03 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 0.00 0.00 0.00 23 V 7.49 4.03 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 1.02 0.00 0.00 1.04 0.00 0.00 24 K 8.29 4.45 0.00 1.99 1.92 0.00 2.00 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.76 1.45 7.81 25 R 8.81 3.74 0.00 2.04 2.09 0.00 3.46 0.00 0.00 3.35 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 26 Y 8.84 4.20 0.00 3.16 3.10 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 0.00 0.00 0.00 27 E 8.55 3.21 0.00 1.77 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 0.00 2.33 2.29 0.00 28 G 9.01 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 0.00 0.00 0.00 0.00 29 Q 7.33 4.40 0.00 1.85 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 30 V 8.17 4.30 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 1.16 0.00 0.00 0.95 0.00 0.00 31 V 7.86 4.36 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 0.63 0.00 0.00 0.95 0.00 0.00 32 R 8.53 5.28 0.00 1.90 1.91 0.00 3.26 0.00 0.00 3.28 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 33 A 9.29 4.08 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 34 G 7.55 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.64 4.83 0.00 2.79 2.84 0.00 0.00 7.04 7.40 0.00 0.00 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 I 8.21 3.95 1.87 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.38 0.96 0.00 0.00 37 L 8.92 4.44 0.00 1.69 1.58 0.70 0.61 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 38 V 8.81 4.02 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 0.95 0.00 0.00 0.77 0.00 0.00 39 R 8.27 4.63 0.00 1.90 1.91 0.00 3.41 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 40 Q 8.56 4.62 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.15 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 41 R 8.74 3.58 0.00 1.69 1.08 0.00 3.36 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.47 0.00 42 G 8.76 3.53 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 0.00 0.00 0.00 43 T 7.63 4.92 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 1.27 0.00 0.00 44 R 8.55 4.48 0.00 1.89 1.45 0.00 3.38 0.00 0.00 3.50 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 45 F 8.98 4.87 0.00 2.79 2.86 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 0.00 0.00 0.00 0.00 46 K 8.09 4.62 0.00 0.79 1.36 0.00 1.41 0.00 0.00 0.94 0.00 0.00 2.92 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.99 1.23 7.81 47 P 0.00 4.23 0.00 2.00 1.97 0.00 3.64 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.89 0.00 48 G 8.23 4.35 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 0.00 49 K 8.29 3.98 0.00 1.88 1.73 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.52 7.81 50 N 8.93 4.45 0.00 2.88 3.09 0.00 0.00 6.72 7.68 0.00 0.00 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 V 7.76 3.61 2.21 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 0.57 0.00 0.00 0.80 0.00 0.00 52 G 8.06 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 0.00 0.00 0.00 53 M 7.84 4.34 0.00 1.86 1.79 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.12 0.00 54 G 8.32 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.88 4.15 0.00 1.96 2.01 0.00 3.19 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 56 D 9.31 4.38 0.00 2.92 2.88 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 0.00 0.00 0.00 57 F 6.21 3.52 0.00 3.42 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 58 T 7.66 4.02 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 1.32 0.00 0.00 59 L 9.12 4.68 0.00 1.46 1.50 0.65 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.66 5.11 0.00 3.14 3.13 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 0.00 0.00 0.00 0.00 61 A 8.67 4.21 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.38 3.61 0.00 1.43 1.14 0.71 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 63 V 6.64 3.64 2.27 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 0.87 0.00 0.00 0.90 0.00 0.00 64 D 7.75 5.21 0.00 2.76 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.22 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.45 4.93 2.35 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 1.10 0.00 0.00 0.92 0.00 0.00 67 V 7.59 4.03 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 0.37 0.00 0.00 0.67 0.00 0.00 68 E 8.72 4.42 0.00 2.34 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 2.46 2.46 0.00 69 F 8.43 4.74 0.00 3.16 3.11 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 0.00 0.00 0.00 0.00 70 Q 9.10 4.62 0.00 2.27 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.23 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 71 D 8.49 4.89 0.00 2.93 2.60 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 0.00 0.00 0.00 0.00 72 R 8.27 4.57 0.00 1.71 1.68 0.00 3.33 0.00 0.00 3.06 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.57 0.00 73 G 8.75 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 74 R 8.64 4.45 0.00 1.76 1.84 0.00 3.34 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 75 L 8.12 4.32 0.00 1.72 1.72 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 76 G 7.64 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 0.00 0.00 0.00 77 R 7.88 4.63 0.00 0.67 0.66 0.00 2.95 0.00 0.00 3.04 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.34 0.00 78 Y 8.30 4.84 0.00 2.99 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 79 V 8.09 4.74 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 0.34 0.00 0.00 0.82 0.00 0.00 80 H 8.60 4.58 0.00 3.06 3.23 0.00 5.73 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.03 4.43 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 1.01 0.00 0.00 0.87 0.00 0.00 82 R 8.68 4.30 0.00 1.81 1.88 0.00 3.18 0.00 0.00 3.40 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 83 P 0.00 4.58 0.00 2.17 1.46 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 84 L 9.23 4.52 0.00 1.70 1.71 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.09 4.11 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