NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2903 8.1585 120.3430 55.5070 34.6212 177.5710 2 A 3.8496 7.9243 121.4220 54.2735 18.8095 177.7347 3 K 3.8557 9.0767 117.2217 59.7756 33.2753 176.5304 4 E 3.7397 7.9943 117.2319 58.2064 29.5830 177.8054 5 F 4.6752 7.3676 114.1947 55.7530 41.0998 175.4101 6 G 4.0908 8.0139 108.3195 46.5263 0.0000 173.6617 7 I 4.1511 7.4992 120.7188 58.9315 38.0092 174.7171 8 P 4.3435 0.0000 0.0000 62.4445 32.1029 177.3590 9 A 4.0219 8.7104 123.0743 55.3406 17.9423 180.1350 10 A 3.9547 8.0119 118.7637 55.0475 18.4549 179.6115 11 V 3.6838 7.8547 116.4060 65.3568 31.5773 178.1502 12 A 4.1656 7.8526 120.5254 54.7034 18.4237 179.6386 13 G 3.5251 8.2597 104.2748 48.3108 0.0000 175.6291 14 T 3.8587 7.4940 118.4303 66.4946 68.5632 176.3007 15 V 3.5979 7.7866 119.5853 66.4389 31.4812 178.1937 16 L 4.0661 8.2552 118.5341 57.6091 41.4576 178.9265 17 N 4.2426 8.5253 116.9977 56.6118 38.5005 177.2407 18 V 3.5745 7.9120 119.3215 66.2700 31.3949 178.0310 19 V 3.5950 7.9152 117.5952 66.2077 31.2734 177.8439 20 E 3.9833 8.6088 117.5899 58.5442 29.3291 178.3195 21 A 4.6328 7.6528 118.9023 50.6773 19.5944 176.5245 22 G 3.8352 8.2759 106.4191 47.1948 0.0000 175.0608 23 G 3.8177 8.1756 108.0624 43.9171 0.0000 174.4062 24 W 4.5174 8.3684 119.5095 56.5846 29.7456 177.6927 25 V 3.6831 8.8715 122.5212 66.6266 30.8648 178.4364 26 T 3.9354 8.0138 108.6773 64.7267 68.5914 176.6789 27 T 3.9141 8.2115 118.9579 66.8097 68.5773 176.4706 28 I 3.7326 7.9066 121.1846 64.6053 37.0411 178.5447 29 V 3.6266 8.2266 119.5166 65.8842 31.3815 178.3209 30 S 4.1261 8.2050 114.1640 61.3539 62.7110 176.4163 31 I 3.6694 7.7766 123.4776 64.2992 36.8956 178.4763 32 L 3.9966 8.0505 119.6338 58.0533 41.2748 179.7548 33 T 3.8493 8.2222 115.7432 66.5110 68.1243 176.6336 34 A 4.0109 7.9080 121.9690 54.8786 18.4530 179.5480 35 V 3.6466 7.3248 116.1086 66.1996 32.1955 176.7425 36 G 3.9715 8.2437 105.1680 44.5543 0.0000 175.0447 37 S 4.2783 8.7229 113.4827 61.0132 63.3470 176.7784 38 G 4.1003 7.5439 111.0054 47.0624 0.0000 175.9135 39 G 4.0683 7.8588 108.9412 47.0021 0.0000 175.6016 40 L 3.9284 8.0196 121.5886 57.6936 41.6087 179.5476 41 S 4.1116 8.3952 115.4231 61.9052 62.6185 176.8146 42 L 2.9477 7.1342 121.1095 57.3073 41.7573 178.6567 43 L 3.9705 7.9798 119.2130 57.7308 41.3603 179.1677 44 A 3.9107 8.5447 120.7428 55.2397 18.0497 179.5076 45 A 3.9178 7.9081 118.0294 55.0290 18.4068 179.4293 46 A 2.9237 6.8912 119.0905 51.4286 18.7297 178.9928 47 G 3.8653 8.2565 103.9234 45.4486 0.0000 175.6688 48 R 4.3834 8.7296 123.5490 55.9260 31.4252 175.9506 49 E 4.2000 8.0074 117.2742 56.1650 30.3210 177.0052 50 S 4.5190 8.2931 115.0721 57.9188 65.6070 175.1125 51 I 3.8385 8.2492 123.1545 63.9958 37.8333 178.1341 52 K 3.9038 8.1272 119.8986 59.4788 32.2288 178.2663 53 A 3.9886 8.4161 121.3113 55.3752 18.3526 178.7761 54 Y 4.0353 8.5157 118.2131 61.1327 38.8626 178.5139 55 L 3.9208 8.7545 120.0843 57.3179 41.6153 179.0853 56 K 3.7583 8.5200 120.1890 59.5944 32.0085 178.1568 57 K 3.7135 7.7757 119.1085 59.9110 32.0553 178.1159 58 E 3.5797 7.7984 118.3281 59.7157 29.2968 179.7428 59 I 3.7311 7.9207 119.6444 63.8810 36.9613 178.1725 60 K 3.8433 7.9379 120.1492 59.3615 32.0553 178.6118 61 K 4.0778 7.9310 117.7036 59.2424 32.9745 178.4277 62 K 4.3199 7.7773 116.4284 53.7694 33.7461 174.0818 63 G 4.0077 7.2196 114.8351 45.9599 0.0000 175.3892 64 K 4.3426 7.4689 122.1042 58.1913 33.3530 177.5924 65 R 3.8804 8.1245 118.1618 59.8471 29.9831 178.4862 66 A 4.1115 8.0997 120.1335 54.9132 18.2285 179.7819 67 V 3.7803 7.7665 115.7526 66.1908 32.0119 177.8864 68 I 3.9645 8.1823 119.7176 64.2719 36.8751 178.2457 69 A 4.1148 7.9308 121.7737 54.5437 18.1665 177.3076 70 W 4.3378 8.7054 131.9510 57.7582 30.8402 175.6053 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 M 8.16 4.29 0.00 2.13 2.51 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.54 0.00 2 A 7.92 3.85 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.08 3.86 0.00 1.88 1.83 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.42 7.81 4 E 7.99 3.74 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.09 0.00 5 F 7.37 4.68 0.00 3.13 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 6 G 8.01 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.50 4.15 1.99 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.61 0.91 0.00 0.00 8 P 0.00 4.34 0.00 2.18 1.98 0.00 3.60 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 9 A 8.71 4.02 1.33 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 0.00 0.00 0.00 10 A 8.01 3.95 1.33 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 0.00 0.00 0.00 11 V 7.85 3.68 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 1.01 0.00 0.00 0.93 0.00 0.00 12 A 7.85 4.17 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.26 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 14 T 7.49 3.86 4.43 0.00 0.00 0.00 0.00 0.00 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 15 V 7.79 3.60 2.25 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 1.07 0.00 0.00 0.99 0.00 0.00 16 L 8.26 4.07 0.00 1.89 1.72 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.53 4.24 0.00 2.98 2.87 0.00 0.00 6.62 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 18 V 7.91 3.57 2.25 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 1.08 0.00 0.00 1.01 0.00 0.00 19 V 7.92 3.60 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 1.07 0.00 0.00 1.05 0.00 0.00 20 E 8.61 3.98 0.00 2.18 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 2.35 2.35 0.00 21 A 7.65 4.63 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 22 G 8.28 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 23 G 8.18 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 W 8.37 4.52 0.00 3.42 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 25 V 8.87 3.68 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 1.20 0.00 0.00 0.98 0.00 0.00 26 T 8.01 3.94 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 1.16 0.00 0.00 27 T 8.21 3.91 4.51 0.00 0.00 0.00 0.00 0.00 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 28 I 7.91 3.73 2.05 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.92 0.95 0.00 0.00 29 V 8.23 3.63 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 1.12 0.00 0.00 0.95 0.00 0.00 30 S 8.21 4.13 0.00 4.13 4.13 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 31 I 7.78 3.67 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.79 0.91 0.00 0.00 32 L 8.05 4.00 0.00 1.78 1.66 0.89 0.58 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 33 T 8.22 3.85 4.49 0.00 0.00 0.00 0.00 0.00 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 34 A 7.91 4.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.32 3.65 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 0.84 0.00 0.00 0.98 0.00 0.00 36 G 8.24 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.72 4.28 0.00 4.06 4.13 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 38 G 7.54 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 39 G 7.86 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 40 L 8.02 3.93 0.00 1.83 1.71 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.40 4.11 0.00 4.20 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 42 L 7.13 2.95 0.00 0.27 1.15 0.70 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.98 3.97 0.00 1.81 1.62 0.88 1.05 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 44 A 8.54 3.91 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 45 A 7.91 3.92 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.89 2.92 1.02 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 0.00 0.00 47 G 8.26 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 48 R 8.73 4.38 0.00 1.80 1.97 0.00 3.22 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 49 E 8.01 4.20 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 50 S 8.29 4.52 0.00 4.07 4.01 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 0.00 0.00 0.00 51 I 8.25 3.84 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.28 0.94 0.00 0.00 52 K 8.13 3.90 0.00 1.92 1.84 0.00 1.83 0.00 0.00 1.97 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.56 7.81 53 A 8.42 3.99 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.52 4.04 0.00 3.10 3.24 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 55 L 8.75 3.92 0.00 1.75 1.76 1.02 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.52 3.76 0.00 2.05 1.81 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.48 7.81 57 K 7.78 3.71 0.00 1.96 1.70 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.45 7.81 58 E 7.80 3.58 0.00 1.95 1.57 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 1.64 1.64 0.00 59 I 7.92 3.73 1.96 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.67 0.90 0.00 0.00 60 K 7.94 3.84 0.00 1.84 1.94 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 61 K 7.93 4.08 0.00 1.86 1.93 0.00 1.51 0.00 0.00 1.58 0.00 0.00 2.75 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.23 1.34 7.81 62 K 7.78 4.32 0.00 1.64 1.78 0.00 1.53 0.00 0.00 1.50 0.00 0.00 2.58 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.19 1.34 7.81 63 G 7.22 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.47 4.34 0.00 1.86 1.69 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.58 7.81 65 R 8.12 3.88 0.00 1.92 1.95 0.00 3.24 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 66 A 8.10 4.11 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.77 3.78 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 1.12 0.00 0.00 0.94 0.00 0.00 68 I 8.18 3.96 2.08 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 1.51 0.97 0.96 0.00 0.00 69 A 7.93 4.11 1.44 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 70 W 8.71 4.34 0.00 3.37 3.23 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 0.00