NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3402 8.1744 110.9437 61.2587 70.6681 173.4943 6 N 4.7578 7.9033 120.3638 53.1348 39.3040 173.3310 7 S 4.4408 8.8049 112.9711 57.6456 64.8242 173.4105 8 D 4.7627 8.6303 121.8791 55.0631 41.8463 175.3778 9 F 5.3343 7.8725 114.3593 55.4932 41.6460 173.7773 10 V 4.6778 8.8426 111.4946 59.5001 35.8067 174.9494 11 V 4.8513 8.4664 122.4327 61.2839 34.3321 174.3773 12 I 4.9744 9.0591 128.3646 59.3918 40.8041 174.0531 13 K 5.0775 9.0844 128.7700 54.2659 34.5321 175.0347 14 A 4.4142 8.9079 130.3615 52.2017 19.1890 177.4243 15 L 4.6805 8.8813 122.1053 54.6015 42.5906 175.6995 16 E 4.7354 7.6604 115.7979 55.0705 32.4973 174.4865 17 D 4.3405 8.5865 119.9586 55.0947 41.6164 177.0016 18 G 3.8432 8.3448 108.8481 45.9151 0.0000 173.9990 19 V 3.9026 7.4680 119.6776 62.9445 32.9156 174.6067 20 N 5.2951 9.1421 124.4914 51.4976 41.6725 173.5228 21 V 4.4437 8.8148 125.2219 61.5019 33.3059 174.3258 22 I 4.5022 8.5984 130.4424 59.3874 39.4046 175.2180 23 G 4.0349 8.7219 115.5905 45.4336 0.0000 172.4777 24 L 5.4883 8.8099 126.5187 53.3943 43.7188 176.4741 25 T 4.3051 8.8658 114.6879 61.8303 69.1362 174.2253 26 R 4.3037 8.0631 126.3555 57.0802 30.9354 174.9638 27 G 3.7388 8.8802 109.0735 44.0443 0.0000 172.9787 28 A 4.0535 8.6792 121.2663 54.6692 18.5657 177.8288 29 D 4.6940 7.8358 113.9792 53.5482 42.3616 175.9627 30 T 4.7062 8.3024 121.9330 61.7884 70.4211 172.7213 31 R 4.7319 8.8961 122.7805 54.2793 33.9526 173.8932 32 F 5.4037 8.7047 117.7992 57.6961 39.1583 175.6990 33 H 5.0143 8.7949 117.4560 56.2008 30.7187 173.7006 34 H 4.6869 7.5675 116.9676 55.0243 33.2721 172.1035 35 S 4.7109 8.2108 119.5910 56.3786 64.5105 172.5528 36 E 4.3656 9.0850 130.0817 55.0420 30.6650 175.1135 37 K 4.8067 8.5972 127.1116 55.8963 33.3056 176.2674 38 L 4.9497 8.9508 124.9292 53.1106 44.8292 175.8866 39 D 4.9754 9.0871 123.0391 52.2892 43.4390 175.9553 40 K 3.8709 8.7073 121.6776 58.7070 32.2878 176.9306 41 G 4.0397 9.1816 115.6379 45.2047 0.0000 173.5398 42 E 4.2260 8.1337 119.5671 56.3241 30.7718 176.0751 43 V 4.8882 8.3001 122.1575 60.9947 34.3197 174.2184 44 L 4.7479 9.1449 129.7764 53.2353 44.8843 174.8214 45 I 5.0655 8.4818 126.3647 59.5806 39.3643 174.7219 46 A 4.6850 8.9819 129.2161 50.1265 21.9017 175.4363 47 Q 4.8244 8.6507 121.1527 54.9453 30.4494 175.7664 48 F 4.6761 8.5033 120.1961 58.0131 39.7965 175.1564 49 T 4.6918 8.8401 111.5941 60.0954 71.9875 173.1504 50 E 4.0113 8.9441 121.4685 59.6372 29.5381 177.4921 51 H 4.4221 8.1477 114.4576 56.8290 29.5988 174.5523 52 T 5.0538 8.2913 116.9302 62.0148 69.8181 174.1312 53 S 5.0314 8.6689 120.6143 58.1224 64.7939 173.4837 54 A 5.1512 7.9316 121.4956 51.0495 22.7112 175.0849 55 I 4.9359 8.5207 120.1712 59.3731 40.7095 174.7192 56 K 4.6135 8.9378 128.1246 54.4880 34.8781 174.6296 57 V 4.8172 8.3957 126.3970 61.1606 33.6554 174.5983 58 R 4.5422 9.1818 126.8059 55.6034 33.1456 176.3313 59 G 4.1491 9.0326 108.9068 44.1662 0.0000 172.2390 60 K 4.8579 9.8182 120.2293 55.4616 33.0326 175.5984 61 A 5.1220 8.5413 126.7559 50.9194 23.3657 173.7106 62 Y 4.9879 9.0727 121.8058 56.1247 41.0428 174.5139 63 I 4.8911 8.3146 127.2412 59.4900 40.7894 174.3153 64 Q 4.9903 8.9328 125.9043 54.3055 31.8158 174.9080 65 T 4.6885 8.5478 112.9237 59.4739 72.4302 174.5709 66 R 3.7484 8.5629 120.5919 59.4451 29.8512 176.4893 67 H 4.7139 8.9401 112.5072 55.3065 29.4388 175.2287 68 G 3.7333 6.5702 107.0090 44.2455 0.0000 172.9169 69 V 4.7654 7.5448 112.8163 59.9821 34.8728 174.9026 70 I 4.3134 7.7515 120.3446 60.4777 41.9675 172.5944 71 E 5.3253 8.6941 125.3020 54.4816 32.2459 176.0983 72 S 4.6292 8.8010 118.7138 57.9819 64.9924 172.9135 73 E 5.0368 8.6428 119.7164 54.8658 33.4804 176.2093 74 G 3.7148 8.3597 109.1048 46.1884 0.0000 172.8880 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 8.17 4.34 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 6 N 7.90 4.76 0.00 2.80 2.85 0.00 0.00 7.08 6.75 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 7 S 8.80 4.44 0.00 4.11 3.92 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 0.00 0.00 0.00 0.00 8 D 8.63 4.76 0.00 2.76 2.75 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 9 F 7.87 5.33 0.00 2.96 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.84 4.68 2.03 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 0.62 0.00 0.00 0.81 0.00 0.00 11 V 8.47 4.85 2.15 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 1.15 0.00 0.00 1.17 0.00 0.00 12 I 9.06 4.97 1.87 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 1.08 0.52 0.91 0.00 0.00 13 K 9.08 5.08 0.00 1.91 1.80 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.39 7.81 14 A 8.91 4.41 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 L 8.88 4.68 0.00 1.63 1.71 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.66 4.74 0.00 1.93 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 2.19 2.34 0.00 17 D 8.59 4.34 0.00 2.59 2.64 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 18 G 8.34 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.47 3.90 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 1.00 0.00 0.00 1.03 0.00 0.00 20 N 9.14 5.30 0.00 2.58 2.58 0.00 0.00 6.40 8.53 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 21 V 8.81 4.44 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 0.82 0.00 0.00 0.89 0.00 0.00 22 I 8.60 4.50 1.51 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.23 -0.64 0.00 0.00 23 G 8.72 4.03 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 0.00 0.00 0.00 24 L 8.81 5.49 0.00 1.89 1.72 0.99 0.72 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 25 T 8.87 4.31 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 1.39 0.00 0.00 26 R 8.06 4.30 0.00 1.88 1.94 0.00 3.22 0.00 0.00 3.08 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.45 0.00 27 G 8.88 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 0.00 0.00 0.00 28 A 8.68 4.05 1.30 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 29 D 7.84 4.69 0.00 2.64 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 30 T 8.30 4.71 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 1.28 0.00 0.00 31 R 8.90 4.73 0.00 1.80 2.00 0.00 2.79 0.00 0.00 3.47 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 32 F 8.70 5.40 0.00 2.89 2.93 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 0.00 33 H 8.79 5.01 0.00 3.16 3.47 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.57 4.69 0.00 3.24 3.03 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.21 4.71 0.00 3.66 3.57 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 36 E 9.08 4.37 0.00 2.15 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 2.26 2.32 0.00 37 K 8.60 4.81 0.00 1.66 1.71 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.67 1.42 7.81 38 L 8.95 4.95 0.00 1.53 1.52 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.09 4.98 0.00 2.59 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 40 K 8.71 3.87 0.00 1.76 1.76 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.31 7.81 41 G 9.18 4.04 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 0.00 0.00 0.00 42 E 8.13 4.23 0.00 2.04 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 2.32 2.35 0.00 43 V 8.30 4.89 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 0.81 0.00 0.00 1.01 0.00 0.00 44 L 9.14 4.75 0.00 1.71 1.45 0.90 0.81 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 45 I 8.48 5.07 1.74 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.77 0.60 0.00 0.00 46 A 8.98 4.69 1.11 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 0.00 0.00 47 Q 8.65 4.82 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.93 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 48 F 8.50 4.68 0.00 3.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.84 4.69 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 1.31 0.00 0.00 50 E 8.94 4.01 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.27 0.00 51 H 8.15 4.42 0.00 3.23 3.17 0.00 5.81 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.29 5.05 4.33 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 1.32 0.00 0.00 53 S 8.67 5.03 0.00 3.82 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 54 A 7.93 5.15 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 55 I 8.52 4.94 1.83 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.64 0.88 0.00 0.00 56 K 8.94 4.61 0.00 1.83 1.56 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.37 7.81 57 V 8.40 4.82 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 0.86 0.00 0.00 0.90 0.00 0.00 58 R 9.18 4.54 0.00 1.74 1.77 0.00 3.17 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 59 G 9.03 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 0.00 0.00 0.00 0.00 60 K 9.82 4.86 0.00 1.82 1.72 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.26 7.81 61 A 8.54 5.12 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 62 Y 9.07 4.99 0.00 3.03 2.81 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 63 I 8.31 4.89 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 1.18 0.62 0.83 0.00 0.00 64 Q 8.93 4.99 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.18 2.08 0.00 65 T 8.55 4.69 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 1.17 0.00 0.00 66 R 8.56 3.75 0.00 1.57 1.70 0.00 3.12 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 67 H 8.94 4.71 0.00 3.17 3.27 0.00 5.70 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 68 G 6.57 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 69 V 7.54 4.77 1.75 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 0.69 0.00 0.00 0.98 0.00 0.00 70 I 7.75 4.31 1.82 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 1.21 1.27 0.84 0.00 0.00 71 E 8.69 5.33 0.00 1.90 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 0.00 2.49 2.42 0.00 72 S 8.80 4.63 0.00 3.96 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.64 5.04 0.00 1.83 1.85 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 2.21 2.29 0.00 74 G 8.36 3.71 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 0.00 0.00 0.00