NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.7126 8.3449 119.6205 56.0578 30.2648 174.1038 3 Y 5.0597 9.2695 121.1335 55.7977 42.0276 173.1757 4 K 5.4524 9.7306 121.1398 54.6487 37.1319 174.6029 5 L 4.9033 8.5963 124.7951 53.2551 44.8053 175.1640 6 I 4.5694 8.8206 128.3055 60.4596 38.9586 174.8080 7 L 4.4378 8.8102 128.3658 53.4142 43.1730 176.0937 8 N 4.8711 8.8409 125.2089 51.7657 37.2061 175.1859 9 G 4.1779 8.4165 111.0551 43.9775 0.0000 172.0553 10 K 4.1220 9.1386 120.2948 58.8525 32.0413 178.5044 11 T 4.6511 7.7678 104.5162 60.6085 70.1399 172.9467 12 L 4.7998 7.4553 121.3312 54.4055 43.6427 174.7414 13 K 5.4163 8.1098 118.5126 53.4179 35.8231 176.9100 14 G 3.9113 7.3318 107.8735 46.0274 0.0000 170.6730 15 V 5.4713 7.7783 118.7530 60.2057 34.6672 176.0195 16 L 5.0123 8.5213 126.2447 53.3384 45.0877 175.3368 17 T 5.5487 8.6347 117.9422 62.0190 71.9490 173.1499 18 I 4.8677 9.1486 118.4533 59.3171 41.8825 173.3221 19 E 5.0301 8.7761 122.9786 54.9575 30.8802 174.7851 20 A 4.7293 8.5225 127.0984 50.7718 22.2839 176.8029 21 V 3.8099 8.3460 113.4032 64.2579 32.0976 176.4909 22 D 4.6272 7.3491 117.3826 51.3967 42.7362 176.2638 23 A 3.5503 8.3676 120.9996 55.0611 18.4710 179.6415 24 A 3.8020 7.8067 118.8360 55.4547 18.4407 179.9247 25 T 3.6180 8.2862 114.2543 66.6147 68.4565 176.7662 26 A 3.4347 7.5100 122.6359 54.9238 18.1329 179.2806 27 E 2.8360 7.9126 117.8706 58.7739 29.6056 178.9128 28 K 3.5742 7.4569 119.2429 59.3315 32.1501 178.8684 29 V 3.1101 7.3722 118.3507 66.0037 31.3389 178.0790 30 F 4.6389 7.9227 117.7686 60.5186 38.6107 177.8398 31 K 4.0869 8.0619 118.6391 59.2569 31.6437 179.0482 32 Q 3.8913 7.8694 119.7938 59.5741 29.1381 178.1289 33 Y 4.6283 8.1105 117.6194 61.0354 37.8280 178.2498 34 A 4.1282 8.7715 122.2038 55.3826 18.5008 179.2590 35 N 4.3136 8.5335 115.0691 56.8076 38.4297 177.1224 36 D 4.4616 8.2655 119.1171 57.4301 41.0622 178.2377 37 L 4.4114 7.6456 115.7807 54.6921 41.8321 177.8187 38 G 3.8635 8.1650 107.6122 45.3360 0.0000 173.3867 39 V 4.2518 7.8674 119.8447 61.0050 32.3486 174.8898 40 D 5.1067 8.2215 126.5283 52.6607 44.4880 175.9461 41 G 3.9934 8.2229 109.5105 45.9300 0.0000 171.8801 42 E 4.7403 8.0919 119.5911 55.1660 31.4834 175.6014 43 W 5.3069 8.9473 122.6329 55.1696 32.0003 175.0028 44 T 5.0059 9.1145 113.0236 60.2213 72.3619 172.0208 45 Y 4.9987 8.4364 122.2934 56.0501 42.8813 173.2221 46 D 4.6628 8.3034 127.1974 52.2016 41.9330 176.3293 47 D 3.8987 8.1887 126.8897 55.8492 39.7478 178.8190 48 A 3.9866 7.7866 122.0089 54.3315 18.3989 177.9799 49 T 4.4481 7.3800 102.4972 60.2316 69.8060 173.7486 50 K 4.1726 7.3827 119.7128 57.2848 30.4547 174.5442 51 T 5.2612 7.4246 113.5124 61.9582 71.7092 174.6464 52 F 5.3625 9.7341 125.7223 57.1138 41.3926 174.9629 53 T 5.1400 9.1656 117.7278 61.7093 72.3961 173.2189 54 V 3.9973 8.2385 125.3187 59.7781 34.1807 174.5936 55 T 4.7427 8.3739 121.3936 61.4566 71.2156 173.8076 56 E 4.2991 8.7512 127.2226 56.3627 29.2994 176.2013 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 Q 8.34 4.71 0.00 1.92 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 3 Y 9.27 5.06 0.00 3.19 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 9.73 5.45 0.00 1.79 1.73 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.49 7.81 5 L 8.60 4.90 0.00 0.27 0.73 0.72 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.82 4.57 1.82 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 1.20 0.43 0.86 0.00 0.00 7 L 8.81 4.44 0.00 1.56 1.53 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.84 4.87 0.00 2.63 2.69 0.00 0.00 6.46 7.47 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 9 G 8.42 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.14 4.12 0.00 1.72 1.88 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.51 7.81 11 T 7.77 4.65 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 12 L 7.46 4.80 0.00 1.81 1.73 0.90 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.11 5.42 0.00 1.64 1.63 0.00 1.73 0.00 0.00 2.34 0.00 0.00 2.78 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.28 1.58 7.81 14 G 7.33 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 15 V 7.78 5.47 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 1.04 0.00 0.00 0.92 0.00 0.00 16 L 8.52 5.01 0.00 1.76 1.77 1.06 0.69 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 17 T 8.63 5.55 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 1.39 0.00 0.00 18 I 9.15 4.87 1.88 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.90 1.06 0.00 0.00 19 E 8.78 5.03 0.00 2.17 1.92 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 2.28 2.28 0.00 20 A 8.52 4.73 1.07 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 21 V 8.35 3.81 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 0.76 0.00 0.00 0.89 0.00 0.00 22 D 7.35 4.63 0.00 2.90 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 23 A 8.37 3.55 1.27 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 0.00 0.00 0.00 24 A 7.81 3.80 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 25 T 8.29 3.62 4.22 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 1.05 0.00 0.00 26 A 7.51 3.43 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 27 E 7.91 2.84 0.00 1.69 1.80 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 1.74 1.61 0.00 28 K 7.46 3.57 0.00 1.67 1.72 0.00 1.55 0.00 0.00 1.41 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.23 1.27 7.81 29 V 7.37 3.11 1.63 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 0.44 0.00 0.00 0.69 0.00 0.00 30 F 7.92 4.64 0.00 2.91 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 31 K 8.06 4.09 0.00 1.55 1.64 0.00 1.08 0.00 0.00 1.11 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.44 0.21 7.81 32 Q 7.87 3.89 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 33 Y 8.11 4.63 0.00 3.20 2.96 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 0.00 0.00 0.00 34 A 8.77 4.13 1.67 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 0.00 0.00 35 N 8.53 4.31 0.00 3.09 2.94 0.00 0.00 7.07 8.27 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 36 D 8.27 4.46 0.00 2.99 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.65 4.41 0.00 1.85 1.72 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.16 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 39 V 7.87 4.25 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 0.77 0.00 0.00 1.04 0.00 0.00 40 D 8.22 5.11 0.00 2.70 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 41 G 8.22 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 4.74 0.00 1.91 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 2.31 2.45 0.00 43 W 8.95 5.31 0.00 3.22 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 44 T 9.11 5.01 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 1.26 0.00 0.00 45 Y 8.44 5.00 0.00 2.85 2.76 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 46 D 8.30 4.66 0.00 2.55 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 0.00 0.00 0.00 0.00 47 D 8.19 3.90 0.00 2.94 2.94 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 48 A 7.79 3.99 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 49 T 7.38 4.45 4.19 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 1.15 0.00 0.00 50 K 7.38 4.17 0.00 1.81 1.73 0.00 1.32 0.00 0.00 0.94 0.00 0.00 2.77 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.28 7.81 51 T 7.42 5.26 4.19 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 1.24 0.00 0.00 52 F 9.73 5.36 0.00 3.12 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 53 T 9.17 5.14 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 1.12 0.00 0.00 54 V 8.24 4.00 0.67 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 0.46 0.00 0.00 0.17 0.00 0.00 55 T 8.37 4.74 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 1.16 0.00 0.00 56 E 8.75 4.30 0.00 1.93 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00