NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.1329 8.1701 117.3749 64.3552 69.0721 172.3082 2 A 3.5945 8.3279 130.1159 52.5487 15.4290 175.5703 3 G 4.2472 8.4305 107.0388 44.4369 0.0000 170.9106 4 K 3.8236 8.5646 120.1176 58.9706 32.1128 177.6931 5 I 3.3057 7.8366 118.1169 60.9139 38.1932 171.5496 6 F 4.4778 7.9083 117.5745 57.9106 42.7605 173.9247 7 R 4.4570 8.3927 115.0641 56.3680 33.7283 175.1801 8 A 4.6477 8.1135 127.4430 51.2540 20.9595 177.6014 9 M 5.1183 7.8772 113.6848 53.8768 34.3291 174.6557 10 Y 5.0202 7.6437 115.9319 56.6822 43.2099 174.1617 11 D 5.1648 8.6602 121.8958 53.0235 38.9987 174.9943 12 Y 4.1826 8.1314 121.4230 57.5522 40.1674 175.2283 13 M 4.2796 7.0114 124.3654 53.1182 33.8554 174.9625 14 A 3.9167 7.9951 127.7294 52.8247 18.3432 177.3970 15 A 4.1034 8.7456 125.1560 54.4594 19.5722 176.4845 16 D 4.3324 7.4660 113.7713 53.9936 43.0291 175.1548 17 A 4.5307 8.6437 125.9439 52.5053 18.9896 177.5447 18 D 4.6842 7.9593 119.4307 55.5784 42.8077 175.6536 19 E 5.2141 7.8004 117.4957 54.8526 32.0141 174.2610 20 V 4.5658 7.7076 110.4769 60.4448 35.8535 176.7423 21 S 4.6391 8.4751 117.1615 56.6341 61.7826 173.5464 22 F 4.9960 7.0883 118.0316 55.4359 40.8177 175.9099 23 K 5.1059 8.4821 119.1034 53.9816 36.5216 174.3981 24 D 4.6694 8.5725 120.4191 55.7226 41.3330 176.1854 25 G 4.0556 8.4791 114.8750 45.7767 0.0000 173.6266 26 D 4.6853 8.2028 118.9697 54.1542 42.5656 175.1499 27 A 5.0092 8.4701 123.9418 50.6595 22.1677 175.1832 28 I 4.5909 7.9812 118.2418 59.6747 42.1743 175.1230 29 I 4.7234 7.9097 123.0349 60.6824 37.0830 177.9990 30 N 4.7539 8.1174 104.2562 53.0326 39.9214 173.9038 31 V 3.7608 8.0549 121.9747 63.3970 32.3885 176.2382 32 Q 4.2951 7.4109 119.2883 55.1070 32.1541 173.3309 33 A 4.2688 8.0402 116.7908 51.8669 20.8928 176.4414 34 I 3.8705 8.3610 123.5393 62.5520 37.6828 175.0024 35 D 4.2982 8.1137 123.9275 53.7868 41.4893 172.0515 36 E 3.8289 8.7790 117.5577 56.7837 28.3400 175.2160 37 G 3.9352 7.1507 113.9552 46.5213 0.0000 175.4380 38 W 5.0551 7.7339 117.0344 54.8722 34.5930 172.7099 39 M 5.2359 8.5964 117.4302 55.5395 35.7987 173.6896 40 Y 4.9980 7.7613 116.6733 58.6194 42.4103 174.5569 41 G 4.3364 8.5541 112.3461 46.1570 0.0000 171.2920 42 T 4.8436 8.3045 116.7083 61.4881 69.8953 174.9197 43 V 3.6882 8.8261 127.9856 63.4319 31.9335 176.8955 44 Q 4.0989 8.4502 126.9197 58.1745 28.7818 178.2188 45 R 4.1671 7.3714 115.2186 58.6492 30.5131 176.8266 46 T 4.4343 8.3552 104.3163 64.4831 71.5670 174.0286 47 G 3.8589 7.9996 108.0617 44.5620 0.0000 173.8295 48 R 4.4132 8.1123 120.3240 55.9050 31.6181 175.2711 49 T 5.0372 7.8716 112.9804 59.6653 71.0872 173.8871 50 G 3.9531 8.1670 111.3141 46.0696 0.0000 171.3362 51 M 4.9548 8.0006 119.2665 53.6877 34.5516 176.2022 52 L 5.0843 8.1980 121.4092 52.0823 46.7147 174.1311 53 P 3.2334 0.0000 0.0000 61.7262 31.5358 177.2510 54 A 3.8669 8.0737 126.7452 54.6217 18.4240 177.1978 55 N 4.6671 8.0303 112.1151 54.4408 39.5945 173.7569 56 Y 4.7255 8.2500 112.6245 60.3902 40.4225 176.4142 57 V 4.2022 7.5522 111.7400 61.5863 33.3080 174.2800 58 E 4.8285 9.0333 120.7271 55.6411 34.6519 174.2437 59 A 4.1425 8.2748 122.9203 50.8143 20.9512 177.7503 60 I 3.9499 7.3388 111.2007 61.3899 37.5801 174.9796 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 T 8.17 4.13 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 2 A 8.33 3.59 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 3 G 8.43 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 0.00 0.00 0.00 0.00 4 K 8.56 3.82 0.00 1.86 1.90 0.00 1.92 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.48 7.81 5 I 7.84 3.31 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.69 0.87 0.00 0.00 6 F 7.91 4.48 0.00 2.86 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 7 R 8.39 4.46 0.00 1.83 1.63 0.00 3.02 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.59 0.00 8 A 8.11 4.65 1.08 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 0.00 0.00 9 M 7.88 5.12 0.00 1.01 1.65 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.21 0.00 10 Y 7.64 5.02 0.00 3.30 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 11 D 8.66 5.16 0.00 2.78 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 12 Y 8.13 4.18 0.00 2.60 1.90 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 13 M 7.01 4.28 0.00 1.68 1.73 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 14 A 8.00 3.92 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 15 A 8.75 4.10 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 16 D 7.47 4.33 0.00 2.53 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 8.64 4.53 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 18 D 7.96 4.68 0.00 2.62 2.56 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 19 E 7.80 5.21 0.00 2.14 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 0.00 2.21 2.33 0.00 20 V 7.71 4.57 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 0.79 0.00 0.00 1.28 0.00 0.00 21 S 8.48 4.64 0.00 3.68 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 22 F 7.09 5.00 0.00 3.18 3.29 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 23 K 8.48 5.11 0.00 1.91 2.03 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.80 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.34 7.81 24 D 8.57 4.67 0.00 2.88 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.48 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 0.00 0.00 0.00 26 D 8.20 4.69 0.00 2.94 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 27 A 8.47 5.01 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 28 I 7.98 4.59 1.83 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.97 0.94 0.00 0.00 29 I 7.91 4.72 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.76 0.95 0.00 0.00 30 N 8.12 4.75 0.00 2.63 2.64 0.00 0.00 6.80 7.25 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 31 V 8.05 3.76 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 0.92 0.00 0.00 0.86 0.00 0.00 32 Q 7.41 4.30 0.00 1.79 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.91 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 33 A 8.04 4.27 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.36 3.87 2.20 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.87 0.99 0.00 0.00 35 D 8.11 4.30 0.00 2.80 2.65 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 0.00 0.00 0.00 0.00 36 E 8.78 3.83 0.00 2.21 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 0.00 2.24 2.33 0.00 37 G 7.15 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 38 W 7.73 5.06 0.00 3.33 3.15 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 39 M 8.60 5.24 0.00 1.73 1.85 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.62 0.00 40 Y 7.76 5.00 0.00 3.07 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 41 G 8.55 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 0.00 0.00 0.00 0.00 42 T 8.30 4.84 4.28 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 1.26 0.00 0.00 43 V 8.83 3.69 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 1.16 0.00 0.00 1.11 0.00 0.00 44 Q 8.45 4.10 0.00 2.41 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 45 R 7.37 4.17 0.00 2.09 2.01 0.00 3.41 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 46 T 8.36 4.43 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 1.24 0.00 0.00 47 G 8.00 3.86 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 0.00 0.00 0.00 48 R 8.11 4.41 0.00 1.83 1.89 0.00 3.11 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 49 T 7.87 5.04 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 50 G 8.17 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 0.00 0.00 0.00 51 M 8.00 4.95 0.00 2.28 1.59 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.43 0.00 52 L 8.20 5.08 0.00 1.53 1.44 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 3.23 0.00 1.61 0.88 0.00 3.38 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.44 0.00 54 A 8.07 3.87 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 55 N 8.03 4.67 0.00 2.72 2.90 0.00 0.00 6.79 7.52 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 56 Y 8.25 4.73 0.00 3.28 3.36 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 57 V 7.55 4.20 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 -0.24 0.00 0.00 0.82 0.00 0.00 58 E 9.03 4.83 0.00 1.82 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 2.27 0.00 59 A 8.27 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.34 3.95 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.46 0.80 0.00 0.00