NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2910 8.3231 116.7948 59.0195 64.0893 170.7323 2 G 3.6641 8.2527 111.8282 47.2958 0.0000 173.8708 3 I 3.8882 7.8186 122.1595 63.2695 38.3982 176.8058 4 V 3.6804 7.7050 119.0011 65.6676 31.0943 177.3658 5 Q 4.2405 7.8213 115.2561 57.5294 28.4350 177.8549 6 Q 4.3655 7.5932 119.2918 58.1762 28.9129 177.5558 7 Q 4.1112 7.7355 116.6306 57.6600 28.6228 177.7682 8 N 4.4271 7.9561 118.4161 56.1928 39.2375 176.4576 9 N 4.3293 7.6407 118.2803 56.3305 38.6909 177.4136 10 L 3.9676 8.2619 120.7944 57.6970 41.6476 179.4101 11 L 4.0074 7.6719 119.4397 58.0898 42.0474 179.2043 12 R 4.1876 8.4880 119.4848 58.6573 29.9868 178.9028 13 A 4.0346 8.3461 120.9653 55.0949 18.3175 179.8338 14 I 3.7144 7.5809 118.0349 64.5247 37.2248 178.4702 15 E 3.9181 8.3784 119.3301 59.3098 29.3585 179.2929 16 A 4.1724 8.0251 120.8339 55.0505 18.4161 179.6753 17 Q 3.9692 8.1632 116.7406 59.1642 28.7441 178.7950 18 Q 3.9659 8.1173 120.6123 59.4503 28.9031 178.0585 19 H 4.3836 7.7602 115.9946 58.5910 28.7426 177.7350 20 L 4.0508 7.8356 120.8454 57.4180 41.5173 179.1772 21 L 3.9545 8.2171 120.8408 58.3254 41.9737 179.0761 22 Q 4.1205 8.3263 117.6260 58.3902 28.5970 178.5734 23 L 4.0666 7.6410 121.0796 57.8139 41.6800 179.3748 24 T 3.9843 7.9511 109.7726 64.6148 68.6759 177.0214 25 V 3.7160 7.7579 120.8365 65.7438 31.5242 178.0355 26 R 3.9984 7.9419 118.9802 59.2846 29.4615 178.7659 27 G 3.6072 8.0278 105.6315 47.7959 0.0000 175.8386 28 I 3.6701 8.0111 122.2926 63.9904 37.1496 178.5911 29 K 3.7769 8.2986 119.6365 59.5811 31.8025 179.1594 30 Q 4.0173 8.1274 119.2916 58.5638 28.6770 178.0262 31 L 3.9939 7.1232 119.0280 57.5482 41.8044 178.8912 32 Q 3.7444 7.6422 117.0059 58.6543 28.3978 177.8308 33 A 4.1266 7.8063 121.6474 55.0453 19.5046 178.2441 34 R 4.5661 7.5662 116.9001 53.3215 28.2547 177.0292 35 S 5.8276 8.1271 120.1825 58.9870 66.0518 179.7684 36 G 3.8988 7.2428 115.2690 46.1642 0.0000 178.6559 37 G 3.7930 9.5922 112.5473 47.9540 0.0000 174.3130 38 R 4.5803 10.1562 122.8461 56.4784 28.0096 176.7564 39 G 3.9172 8.1077 105.9184 46.6139 0.0000 174.9632 40 G 3.6620 7.8288 105.7905 45.7549 0.0000 174.3115 41 W 4.7980 7.8744 119.3960 56.8544 29.4574 177.5243 42 M 4.1991 8.0580 121.5713 58.7282 31.5589 178.1626 43 E 4.0572 8.2808 118.8877 58.8187 29.8755 178.4293 44 W 4.2714 8.4274 128.1663 60.6255 30.8338 177.5139 45 D 4.3026 8.6730 118.9093 57.2856 40.2529 178.6147 46 R 3.8753 7.9581 118.8613 59.6594 30.0989 178.4500 47 E 3.9510 8.0771 117.9123 59.3251 29.4055 179.4331 48 I 3.5546 7.4575 119.8125 64.3203 37.1073 178.1100 49 N 4.2458 8.3029 117.5654 56.5278 38.4495 177.1160 50 N 4.2088 8.1538 117.6740 56.7095 38.6931 177.1207 51 Y 4.1279 8.0473 117.8033 61.0313 37.9364 178.3226 52 T 3.9044 8.1431 117.0884 66.4586 68.5243 177.0962 53 S 4.0580 8.1567 117.3141 61.4777 62.8383 176.6793 54 L 3.9935 7.8350 121.6734 57.7606 41.3432 179.7178 55 I 3.7500 7.7373 119.6034 64.7454 37.0783 178.0998 56 H 4.2880 8.3259 117.0702 59.1421 28.5421 178.0828 57 S 4.1598 8.1161 116.8305 61.4970 62.5185 176.7481 58 L 4.1895 7.9199 121.7797 57.8397 41.2982 179.6653 59 I 3.7464 8.3047 120.1795 64.3568 37.0559 178.3291 60 E 3.9624 8.3467 119.7586 59.3876 29.1210 179.2365 61 E 4.1005 7.9847 115.9913 58.9495 29.7890 178.8370 62 S 4.3491 7.4921 115.9470 61.2361 63.1567 176.1022 63 Q 4.1471 8.1255 120.1760 57.8349 28.3614 178.0853 64 N 4.0826 8.5773 113.3526 56.4526 38.9519 176.1147 65 Q 4.2169 8.9263 126.8928 56.8028 29.3462 175.0449 66 Q 4.5036 7.7003 117.7322 56.4968 31.1164 175.7675 67 E 4.1480 7.7475 115.2514 57.7747 29.9188 176.6166 68 K 4.1470 7.8723 123.9245 56.3205 32.4769 175.2830 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 S 8.32 4.29 0.00 3.88 3.92 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 2 G 8.25 3.66 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 0.00 3 I 7.82 3.89 1.87 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 1.52 0.72 0.91 0.00 0.00 4 V 7.70 3.68 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 1.07 0.00 0.00 0.96 0.00 0.00 5 Q 7.82 4.24 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.47 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 6 Q 7.59 4.37 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 7 Q 7.74 4.11 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 8 N 7.96 4.43 0.00 2.78 2.79 0.00 0.00 7.22 6.71 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 9 N 7.64 4.33 0.00 3.08 2.84 0.00 0.00 7.03 6.62 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 10 L 8.26 3.97 0.00 1.66 1.72 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.67 4.01 0.00 1.91 1.83 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.49 4.19 0.00 2.05 1.96 0.00 3.19 0.00 0.00 3.27 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 13 A 8.35 4.03 1.37 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 0.00 0.00 14 I 7.58 3.71 2.01 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 1.52 0.62 0.90 0.00 0.00 15 E 8.38 3.92 0.00 2.15 1.94 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 2.29 2.54 0.00 16 A 8.03 4.17 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 17 Q 8.16 3.97 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.68 0.00 18 Q 8.12 3.97 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 19 H 7.76 4.38 0.00 3.49 3.31 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.84 4.05 0.00 1.88 1.72 0.93 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.22 3.95 0.00 1.91 1.71 0.91 0.56 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 22 Q 8.33 4.12 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 23 L 7.64 4.07 0.00 1.86 1.71 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.95 3.98 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 1.27 0.00 0.00 25 V 7.76 3.72 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 1.08 0.00 0.00 0.91 0.00 0.00 26 R 7.94 4.00 0.00 2.02 2.08 0.00 3.15 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 1.63 1.65 0.00 27 G 8.03 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 28 I 8.01 3.67 2.13 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.98 0.55 0.00 0.00 29 K 8.30 3.78 0.00 2.13 1.85 0.00 1.85 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.55 7.81 30 Q 8.13 4.02 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 31 L 7.12 3.99 0.00 1.82 1.57 0.86 0.86 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 32 Q 7.64 3.74 0.00 1.33 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 1.16 1.81 0.00 33 A 7.81 4.13 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 34 R 7.57 4.57 0.00 1.90 1.90 0.00 3.28 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 35 S 8.13 5.83 0.00 4.05 3.96 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 36 G 7.24 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 37 G 9.59 3.79 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 0.00 0.00 0.00 38 R 10.16 4.58 0.00 2.15 2.31 0.00 3.36 0.00 0.00 3.30 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 39 G 8.11 3.92 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 0.00 0.00 0.00 40 G 7.83 3.66 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 0.00 41 W 7.87 4.80 0.00 3.55 3.19 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 42 M 8.06 4.20 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.81 0.00 43 E 8.28 4.06 0.00 2.14 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 2.44 2.67 0.00 44 W 8.43 4.27 0.00 3.63 3.67 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 45 D 8.67 4.30 0.00 3.05 2.78 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 0.00 0.00 0.00 46 R 7.96 3.88 0.00 2.19 1.94 0.00 3.10 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 47 E 8.08 3.95 0.00 2.16 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 0.00 2.37 2.67 0.00 48 I 7.46 3.55 1.69 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.36 0.67 0.00 0.00 49 N 8.30 4.25 0.00 2.85 2.83 0.00 0.00 7.09 6.56 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 50 N 8.15 4.21 0.00 2.82 2.59 0.00 0.00 7.12 7.03 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 51 Y 8.05 4.13 0.00 3.05 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.14 3.90 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 0.99 0.00 0.00 53 S 8.16 4.06 0.00 4.05 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.84 3.99 0.00 1.92 1.73 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.74 3.75 2.01 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 1.55 0.74 0.94 0.00 0.00 56 H 8.33 4.29 0.00 3.36 3.34 0.00 5.81 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 57 S 8.12 4.16 0.00 4.14 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 58 L 7.92 4.19 0.00 2.04 1.72 0.96 0.92 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 59 I 8.30 3.75 2.00 0.00 0.00 0.85 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 0.70 0.89 0.00 0.00 60 E 8.35 3.96 0.00 2.23 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 2.32 2.45 0.00 61 E 7.98 4.10 0.00 2.15 2.16 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 2.51 2.35 0.00 62 S 7.49 4.35 0.00 4.04 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 63 Q 8.13 4.15 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 64 N 8.58 4.08 0.00 2.96 2.63 0.00 0.00 6.68 7.45 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 65 Q 8.93 4.22 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 66 Q 7.70 4.50 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.89 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 67 E 7.75 4.15 0.00 2.04 1.99 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 2.34 2.30 0.00 68 K 7.87 4.15 0.00 1.65 1.62 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.44 7.81