NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3042 8.2649 123.5819 51.9872 19.9378 176.2084 2 D 4.5677 8.2574 119.3220 52.6566 42.0134 175.1170 3 D 4.6860 8.3380 121.5742 54.5787 42.6622 174.9448 4 I 4.6372 7.9297 113.7724 59.1869 40.8727 174.4071 5 V 4.7680 8.3140 123.4724 61.2390 33.5963 174.6124 6 L 4.3702 8.9319 128.8147 53.2157 42.7846 177.9601 7 K 4.5782 8.2552 127.0672 54.8201 31.2546 177.0625 8 A 4.1587 7.6203 123.3356 52.1770 19.4670 179.3632 9 K 4.0559 8.6958 121.9358 59.2507 32.3015 177.9807 10 N 4.5529 8.2284 113.9141 52.8003 37.9154 174.4434 11 G 4.4386 7.4378 115.8893 44.8194 0.0000 172.1717 12 D 4.6373 8.2859 124.2678 55.1011 42.3735 175.8167 13 V 4.9497 8.5069 121.9901 60.1403 33.5271 175.0114 14 K 4.4924 8.7620 127.8090 56.3397 33.0468 176.9131 15 F 4.8183 9.2036 126.5676 55.8329 41.7293 172.5842 16 P 4.8512 0.0000 0.0000 60.9641 31.4960 176.5157 17 H 3.9205 9.2433 124.6626 58.8684 29.7852 176.9207 18 K 3.8056 7.9850 120.7747 59.5539 32.0269 178.4408 19 A 3.9423 7.7632 120.4252 55.2549 18.2650 179.2534 20 H 4.0795 7.5183 113.6957 58.8906 28.6000 177.5507 21 Q 3.9303 7.8889 120.6240 59.1927 28.8791 178.2450 22 K 4.0544 7.8234 119.2333 59.0766 32.4255 178.0688 23 A 4.4009 7.8173 118.5939 52.1844 20.3037 177.4707 24 V 4.4001 7.7037 117.1886 60.2117 31.1688 174.2375 25 P 4.2966 0.0000 0.0000 64.5978 32.0536 177.9988 26 D 4.6581 7.4596 120.9873 53.1648 39.3947 175.9691 27 C 4.1740 8.2039 121.7385 62.1491 28.6806 175.7883 28 K 4.8250 7.9819 115.8205 57.0023 31.7881 178.0337 29 K 4.1751 8.2029 119.4228 58.6826 32.1417 177.6218 30 C 4.6495 7.9910 113.7336 59.9419 30.9787 173.7606 31 H 4.8490 8.4161 116.3390 55.0209 30.0710 174.5160 32 E 4.0123 8.8369 117.9224 57.3024 26.9400 175.4036 33 K 4.1643 7.9948 116.9312 56.0940 32.7788 178.1119 34 G 3.9086 8.2207 110.5071 44.2667 0.0000 171.4977 35 P 4.3270 0.0000 0.0000 63.7574 31.9027 176.4286 36 G 4.1049 8.8841 107.0624 45.7647 0.0000 175.8652 37 K 4.1093 8.0614 118.9499 58.8806 31.8553 179.2365 38 I 3.8317 7.5828 119.4239 64.4949 37.3001 177.7770 39 E 4.2483 8.1602 117.7298 59.1652 29.4526 179.1884 40 G 3.7002 8.3562 105.5129 46.3888 0.0000 174.0910 41 F 4.2508 7.3492 121.3303 57.9358 40.5133 175.4559 42 G 3.8093 6.3175 110.8292 44.9304 0.0000 173.1701 43 K 3.6961 8.2249 121.6054 60.1463 32.3116 180.1605 44 E 3.8921 8.0196 118.0661 61.6894 29.4818 180.8088 45 M 4.1398 7.6518 119.0599 58.0009 31.9603 178.6517 46 A 4.0055 7.4614 120.9283 55.2059 18.3583 178.8096 47 H 4.6317 8.3823 112.8072 58.0093 29.7647 176.8600 48 G 4.1981 7.8839 112.0181 44.8659 0.0000 175.8033 49 K 4.2034 8.7200 121.6276 58.5103 32.9644 178.7284 50 G 3.8674 8.3949 109.6419 48.3809 0.0000 173.3483 51 C 4.6226 7.2288 115.6238 59.6932 32.4224 175.7187 52 K 4.0022 8.9233 120.4692 59.9240 32.1172 179.6744 53 G 3.6169 8.4613 106.3370 47.5795 0.0000 175.2892 54 C 4.1305 7.9900 120.4616 62.6567 31.8185 174.8577 55 H 5.0313 7.8244 118.7326 58.6064 27.7793 177.5306 56 E 4.0125 8.4553 120.1858 59.4570 29.1000 179.2756 57 E 4.0364 8.3258 117.9010 59.5326 29.6893 178.6734 58 M 4.2650 8.4703 116.1466 54.8455 32.3971 176.3999 59 K 3.9066 7.6677 116.5525 56.5272 30.6326 175.2010 60 K 4.2520 8.0144 115.9899 56.3239 35.6050 173.8978 61 G 4.1438 8.8478 112.4954 42.8969 0.0000 171.7795 62 P 4.5543 0.0000 0.0000 62.8504 31.8438 176.3598 63 T 4.6214 8.8419 109.0396 60.8575 70.3032 173.7445 64 K 4.6438 7.8859 121.7641 54.7108 34.8218 176.6932 65 C 4.0658 8.8896 119.5467 63.3220 28.0362 176.4794 66 G 3.8964 7.9709 104.4626 46.1979 0.0000 174.1417 67 E 4.1903 8.1269 119.6335 58.6279 30.0982 177.7012 68 C 4.3548 8.1836 115.7474 61.6485 29.1929 172.8731 69 H 5.0994 8.3247 117.6092 54.3361 30.0948 174.7713 70 K 4.4824 8.8924 124.9782 54.6180 34.9893 175.9717 71 K 4.2831 8.7840 126.0342 56.7807 31.6473 177.0756 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 A 8.26 4.30 1.26 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 0.00 0.00 2 D 8.26 4.57 0.00 2.77 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.34 4.69 0.00 2.72 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 4 I 7.93 4.64 1.88 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.72 0.94 0.00 0.00 5 V 8.31 4.77 2.11 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 0.87 0.00 0.00 0.96 0.00 0.00 6 L 8.93 4.37 0.00 1.74 1.66 1.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.26 4.58 0.00 1.77 1.80 0.00 1.90 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.39 7.81 8 A 7.62 4.16 1.52 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 0.00 0.00 9 K 8.70 4.06 0.00 1.76 1.89 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.44 7.81 10 N 8.23 4.55 0.00 2.77 2.89 0.00 0.00 5.92 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 7.44 4.44 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 0.00 12 D 8.29 4.64 0.00 2.80 2.66 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 13 V 8.51 4.95 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 1.48 0.00 0.00 0.89 0.00 0.00 14 K 8.76 4.49 0.00 1.71 1.75 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.46 7.81 15 F 9.20 4.82 0.00 3.04 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 16 P 0.00 4.85 0.00 2.10 2.09 0.00 3.69 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 1.87 1.81 0.00 17 H 9.24 3.92 0.00 3.24 3.34 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.98 3.81 0.00 1.84 1.74 0.00 1.75 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.49 7.81 19 A 7.76 3.94 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 20 H 7.52 4.08 0.00 3.32 3.42 0.00 5.83 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 7.89 3.93 0.00 1.96 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 22 K 7.82 4.05 0.00 1.85 1.77 0.00 1.81 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.43 7.81 23 A 7.82 4.40 1.32 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 0.00 0.00 24 V 7.70 4.40 2.23 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 1.10 0.00 0.00 1.02 0.00 0.00 25 P 0.00 4.30 0.00 2.22 2.17 0.00 3.91 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 26 D 7.46 4.66 0.00 2.87 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.20 4.17 0.00 3.08 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 28 K 7.98 4.83 0.00 1.92 1.87 0.00 1.82 0.00 0.00 2.61 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.44 7.81 29 K 8.20 4.18 0.00 1.82 1.89 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.74 1.58 7.81 30 C 7.99 4.65 0.00 2.71 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 31 H 8.42 4.85 0.00 3.30 3.19 0.00 5.77 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 32 E 8.84 4.01 0.00 2.13 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 0.00 2.23 2.33 0.00 33 K 7.99 4.16 0.00 1.74 1.74 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.20 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.49 1.42 7.81 34 G 8.22 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 35 P 0.00 4.33 0.00 2.19 2.07 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 36 G 8.88 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 37 K 8.06 4.11 0.00 1.77 1.87 0.00 1.71 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.47 7.81 38 I 7.58 3.83 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.44 0.90 0.00 0.00 39 E 8.16 4.25 0.00 1.95 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 2.32 2.38 0.00 40 G 8.36 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.35 4.25 0.00 3.14 2.92 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 42 G 6.32 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 43 K 8.22 3.70 0.00 1.71 1.69 0.00 1.68 0.00 0.00 1.79 0.00 0.00 3.18 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.24 7.81 44 E 8.02 3.89 0.00 2.01 1.96 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 2.32 1.99 0.00 45 M 7.65 4.14 0.00 1.84 1.47 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.39 0.00 46 A 7.46 4.01 1.29 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 0.00 0.00 0.00 47 H 8.38 4.63 0.00 3.14 3.31 0.00 5.65 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.88 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.72 4.20 0.00 1.89 1.96 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.45 7.81 50 G 8.39 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 51 C 7.23 4.62 0.00 3.24 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 52 K 8.92 4.00 0.00 1.84 1.99 0.00 1.61 0.00 0.00 1.77 0.00 0.00 3.17 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.50 7.81 53 G 8.46 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.99 4.13 0.00 3.03 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 55 H 7.82 5.03 0.00 3.45 3.52 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.46 4.01 0.00 2.15 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 2.58 0.00 57 E 8.33 4.04 0.00 2.14 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 0.00 2.47 2.51 0.00 58 M 8.47 4.27 0.00 1.96 2.23 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.60 0.00 59 K 7.67 3.91 0.00 1.95 1.90 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.53 7.81 60 K 8.01 4.25 0.00 1.76 1.57 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 1.31 7.81 61 G 8.85 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 0.00 0.00 0.00 0.00 62 P 0.00 4.55 0.00 2.22 2.07 0.00 3.36 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 63 T 8.84 4.62 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 1.30 0.00 0.00 64 K 7.89 4.64 0.00 1.80 1.74 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.38 7.81 65 C 8.89 4.07 0.00 3.00 3.02 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 0.00 0.00 0.00 66 G 7.97 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 67 E 8.13 4.19 0.00 2.14 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 0.00 2.34 2.29 0.00 68 C 8.18 4.35 0.00 2.97 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 69 H 8.32 5.10 0.00 3.23 3.23 0.00 5.59 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.89 4.48 0.00 1.73 1.67 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.43 7.81 71 K 8.78 4.28 0.00 1.70 1.73 0.00 1.84 0.00 0.00 1.75 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.47 7.81