NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3562 8.1627 118.2117 54.7367 32.3735 175.3695 2 L 2.0000 6.7892 118.7671 57.4609 42.3449 177.4966 3 Q 3.8401 8.3039 119.9470 58.2525 29.7734 177.2821 4 L 4.5184 7.6061 115.9880 54.0704 42.5474 176.6793 5 W 4.7233 8.2065 121.8654 56.5671 29.8021 176.7259 6 S 4.7797 10.1047 120.3885 57.1753 65.7122 175.2460 7 K 4.6836 8.1538 121.4824 59.7124 32.0510 179.0024 8 F 4.4103 7.6272 119.1058 60.2444 38.7897 177.5167 9 D 4.1627 8.0995 118.2947 57.3134 40.6917 178.4977 10 V 3.8480 7.7934 118.5177 66.1528 31.5537 178.3052 11 G 3.6265 8.0023 104.8359 48.0086 0.0000 175.4743 12 D 4.3633 8.2379 121.7042 56.6779 40.6354 178.6937 13 W 4.0427 8.6480 129.2849 60.3475 30.6468 178.0425 14 L 3.4393 8.1133 119.0492 57.5841 40.8936 179.3733 15 E 3.8645 7.9170 118.3037 59.3235 29.2249 179.5255 16 S 4.0557 7.8541 112.9978 60.1431 62.8772 175.4930 17 I 4.0327 6.4057 115.2817 60.0438 38.0152 174.8163 18 H 4.0857 8.0191 115.1102 57.8283 26.3313 174.9359 19 L 4.7180 8.1531 115.7498 53.6203 43.2606 179.4206 20 G 3.6939 8.1755 107.9519 47.3870 0.0000 175.3779 21 E 4.0244 8.0681 118.5088 59.0984 29.9003 177.7406 22 H 4.8154 8.2395 116.2645 56.0332 29.1892 177.1193 23 R 3.9621 7.8402 119.4673 59.2614 29.1236 178.5771 24 D 4.3926 8.1019 119.0934 57.2761 40.9611 178.5854 25 R 3.9979 8.1100 118.6644 59.4801 30.1483 178.3099 26 F 4.0501 8.5793 117.5087 60.5213 38.9230 177.2842 27 E 3.9367 8.6405 119.0593 59.4726 29.2640 178.6547 28 D 4.4553 8.3694 118.1567 57.2469 40.9460 177.5032 29 H 4.4304 8.0432 114.0434 54.8613 29.1638 174.8116 30 E 3.7371 8.0376 119.3193 57.3046 27.5378 174.8118 31 I 4.0364 8.0112 120.3626 61.0892 37.8326 175.7080 32 E 5.0667 8.6488 122.3361 53.5852 32.6639 176.8960 33 G 3.8630 8.9217 105.8304 48.3427 0.0000 175.7589 34 A 3.9532 7.8719 121.0167 54.4469 18.5930 178.6604 35 H 4.4887 8.2601 115.0969 58.1672 29.0615 177.3107 36 L 4.0376 7.5923 121.0728 57.7318 41.3752 178.0738 37 P 4.3027 0.0000 0.0000 64.6995 31.4145 176.9966 38 A 4.5108 7.7044 119.0407 51.7479 19.7379 177.2533 39 L 3.9645 7.6008 117.0784 54.8172 42.1479 177.8767 40 T 4.4891 8.9750 114.6016 60.1560 72.1777 175.8062 41 K 4.2188 8.5388 120.7270 59.8450 32.0399 178.3194 42 E 4.0627 8.1428 118.5002 59.2482 29.4827 178.7604 43 D 4.2147 7.9215 119.0611 57.3667 40.7568 178.7892 44 F 4.2192 7.9875 118.2584 60.4156 38.8684 177.9190 45 V 3.6248 7.7295 117.4943 66.1212 31.2075 177.8339 46 E 3.9887 8.1273 117.3361 58.5742 29.5148 177.7082 47 L 4.1376 7.6349 116.8908 54.6360 42.0549 177.4563 48 G 4.0644 8.1944 108.1073 45.2125 0.0000 175.0439 49 V 3.9842 7.7507 121.1455 61.9569 29.7026 175.3817 50 T 4.3291 7.9689 109.9140 60.9966 69.9527 175.5455 51 R 4.4264 7.5995 122.8286 54.6974 31.3261 176.6944 52 V 3.6649 8.7110 123.5316 66.3227 31.2709 178.0439 53 G 3.6069 8.0022 104.5880 48.2394 0.0000 175.2670 54 H 4.3291 8.2101 118.6247 58.5920 28.6187 178.1684 55 R 3.6180 7.8467 119.5179 59.1127 29.8178 178.7826 56 E 3.9266 8.3507 118.5602 59.2596 29.3529 179.1479 57 N 4.3263 8.0658 116.8165 56.1151 38.5889 177.5548 58 I 3.6769 7.7107 121.2174 64.3044 37.2022 177.9524 59 E 3.9979 8.2886 120.3480 59.4896 29.5983 178.8681 60 R 3.9315 8.3610 118.7011 59.4321 29.9074 178.3432 61 A 4.2222 8.1709 119.8083 55.1356 18.5505 179.3240 62 L 4.1677 8.2777 117.7732 58.0061 41.4535 179.8695 63 R 4.0354 7.8042 117.0217 59.1080 30.0702 178.6189 64 Q 4.1658 8.0119 117.0112 58.1189 28.7386 177.1394 65 L 4.4373 7.5219 123.5208 54.7345 42.1048 176.1119 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 4.36 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 2 L 6.79 2.00 0.00 0.86 1.07 0.06 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 8.30 3.84 0.00 1.94 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.65 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 4 L 7.61 4.52 0.00 1.77 1.75 0.93 0.78 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 5 W 8.21 4.72 0.00 3.44 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 6 S 10.10 4.78 0.00 4.02 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 7 K 8.15 4.68 0.00 1.81 2.03 0.00 1.29 0.00 0.00 1.65 0.00 0.00 2.64 0.00 0.00 2.17 0.00 0.00 0.00 0.00 1.00 0.21 7.81 8 F 7.63 4.41 0.00 3.09 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 9 D 8.10 4.16 0.00 2.69 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 0.00 0.00 0.00 10 V 7.79 3.85 2.42 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 1.37 0.00 0.00 1.27 0.00 0.00 11 G 8.00 3.63 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 0.00 0.00 0.00 12 D 8.24 4.36 0.00 2.73 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 13 W 8.65 4.04 0.00 2.68 3.26 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 14 L 8.11 3.44 0.00 1.74 1.61 0.24 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 15 E 7.92 3.86 0.00 2.14 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 2.26 2.42 0.00 16 S 7.85 4.06 0.00 3.95 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 17 I 6.41 4.03 1.53 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.26 0.42 0.00 0.00 18 H 8.02 4.09 0.00 3.22 3.36 0.00 5.62 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.15 4.72 0.00 1.33 1.46 0.71 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.18 3.69 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 0.00 0.00 0.00 21 E 8.07 4.02 0.00 2.03 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 2.13 1.98 0.00 22 H 8.24 4.82 0.00 3.08 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.84 3.96 0.00 2.07 2.14 0.00 2.77 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.71 0.00 24 D 8.10 4.39 0.00 2.77 2.82 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 25 R 8.11 4.00 0.00 2.01 2.15 0.00 3.26 0.00 0.00 3.57 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.80 0.00 26 F 8.58 4.05 0.00 3.41 3.20 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 27 E 8.64 3.94 0.00 2.23 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 0.00 2.32 2.19 0.00 28 D 8.37 4.46 0.00 2.90 2.74 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 29 H 8.04 4.43 0.00 3.12 3.25 0.00 5.99 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.04 3.74 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 2.21 2.38 0.00 31 I 8.01 4.04 2.09 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.86 1.07 0.00 0.00 32 E 8.65 5.07 0.00 2.19 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 1.99 1.89 0.00 33 G 8.92 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 34 A 7.87 3.95 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 35 H 8.26 4.49 0.00 3.34 3.26 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.59 4.04 0.00 1.70 1.83 0.93 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.30 0.00 2.00 2.09 0.00 3.61 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.99 0.00 38 A 7.70 4.51 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 39 L 7.60 3.96 0.00 1.27 0.53 0.61 0.50 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 40 T 8.97 4.49 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 41 K 8.54 4.22 0.00 1.94 1.92 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.57 1.61 7.81 42 E 8.14 4.06 0.00 2.08 1.97 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 2.40 2.47 0.00 43 D 7.92 4.21 0.00 2.39 2.37 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.99 4.22 0.00 3.30 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 45 V 7.73 3.62 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 1.02 0.00 0.00 1.09 0.00 0.00 46 E 8.13 3.99 0.00 1.97 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 2.22 2.32 0.00 47 L 7.63 4.14 0.00 1.64 1.21 0.05 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.19 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 49 V 7.75 3.98 2.32 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 0.75 0.00 0.00 1.10 0.00 0.00 50 T 7.97 4.33 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 1.26 0.00 0.00 51 R 7.60 4.43 0.00 1.76 1.76 0.00 3.00 0.00 0.00 3.04 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 52 V 8.71 3.66 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 1.03 0.00 0.00 0.93 0.00 0.00 53 G 8.00 3.61 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 0.00 0.00 0.00 54 H 8.21 4.33 0.00 3.35 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.85 3.62 0.00 1.88 1.68 0.00 2.97 0.00 0.00 3.53 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.71 0.00 56 E 8.35 3.93 0.00 2.13 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 2.55 2.47 0.00 57 N 8.07 4.33 0.00 2.84 2.77 0.00 0.00 6.94 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 7.71 3.68 1.82 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.90 1.21 0.00 0.00 59 E 8.29 4.00 0.00 2.12 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 0.00 2.33 2.40 0.00 60 R 8.36 3.93 0.00 1.95 1.99 0.00 3.17 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 61 A 8.17 4.22 1.66 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 0.00 0.00 62 L 8.28 4.17 0.00 2.04 1.77 1.11 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.80 4.04 0.00 1.96 2.02 0.00 3.19 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 64 Q 8.01 4.17 0.00 2.37 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.45 2.64 0.00 65 L 7.52 4.44 0.00 1.45 1.51 0.81 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00