NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6033 8.1633 120.6485 55.4797 34.1023 173.6951 2 I 4.8868 8.5136 126.0105 59.2697 39.7276 173.3664 3 I 4.5283 8.6093 128.6995 60.0363 39.1629 174.3148 4 N 5.3707 8.8091 123.3205 50.7868 40.4888 173.8052 5 N 4.9089 8.5080 117.1186 53.0264 39.6247 177.0720 6 L 3.8154 8.2722 122.9437 58.0612 41.9883 178.5071 7 K 4.0200 7.9167 119.0726 59.3974 32.1711 178.2318 8 L 3.9109 7.8122 120.0242 58.3032 42.0571 178.9275 9 I 3.6754 7.7480 119.6400 64.2302 37.0558 178.2628 10 R 3.8624 8.2440 119.9222 59.5194 29.8975 178.2900 11 E 3.9288 8.3989 118.4656 59.4836 29.3049 179.3664 12 K 3.9698 7.9705 118.1281 59.2327 32.3414 178.1396 13 K 4.1950 7.8780 115.9559 55.8483 32.3254 176.8094 14 K 3.8993 7.8697 117.7407 57.5431 29.8872 175.4046 15 I 4.8599 7.8645 119.0681 59.1553 38.5614 177.1173 16 S 4.5522 8.5101 120.5814 57.4297 65.5740 175.2762 17 Q 4.0072 8.4434 120.7449 59.1526 28.4347 179.2067 18 S 4.1083 8.0327 114.8093 61.1455 63.1267 176.0679 19 E 3.8536 7.8465 122.0276 59.1029 29.4729 178.5399 20 L 3.9129 8.0509 120.1400 58.0360 42.1504 178.5699 21 A 3.9845 8.3208 120.8034 55.2140 18.1704 179.4723 22 A 3.8905 8.1149 119.1341 55.2258 18.2522 179.6376 23 L 3.7369 7.5705 117.6062 57.9444 42.2877 178.4315 24 L 4.2496 7.8573 115.7257 53.9014 42.4702 176.1834 25 E 3.7616 7.8109 117.4720 57.7609 27.3319 173.6540 26 V 4.5623 7.6086 109.8504 58.7633 35.9685 176.4498 27 S 4.5309 8.2085 115.4011 57.8590 65.2515 175.0095 28 R 3.9027 8.4649 122.4421 59.7016 29.7458 178.4345 29 Q 4.0418 8.1592 118.9122 59.4501 29.0642 178.3809 30 T 4.1799 8.0264 116.7268 66.7889 68.6182 176.6227 31 I 3.7506 7.5980 121.5215 64.5414 37.1617 178.0718 32 N 4.3994 8.6578 118.3891 56.6102 38.6780 177.1731 33 G 2.4857 8.3587 107.5621 47.1617 0.0000 175.8717 34 I 4.0846 7.6563 123.3416 64.0024 36.9777 178.4447 35 E 4.0774 7.9809 117.8260 58.5930 29.3022 178.4968 36 K 4.2978 7.8150 116.1569 55.2730 32.4535 176.1010 37 N 4.3060 7.7951 115.5166 54.4935 36.2884 175.5054 38 K 4.3024 8.2443 118.8308 57.6729 33.0947 177.3260 39 Y 4.8949 7.6983 116.9144 56.0262 37.5532 172.7913 40 N 4.8846 8.0201 117.6633 50.5543 40.4697 173.5924 41 P 4.4182 0.0000 0.0000 61.9294 32.4031 176.9652 42 S 4.2321 8.4390 116.5509 58.1756 64.6762 175.1708 43 L 3.7955 8.3154 123.4692 58.4647 41.7022 178.8479 44 Q 3.9022 7.9747 118.8174 59.1946 28.9513 177.9259 45 L 3.9488 8.0991 121.1265 57.9784 42.1224 178.7255 46 A 3.9696 8.1623 121.0275 55.1508 18.1663 179.6297 47 L 4.0315 8.2109 117.7019 57.8533 41.6918 179.9055 48 K 4.0454 8.3895 118.6674 59.4141 31.9222 179.4076 49 I 3.8739 8.3242 120.2219 64.5346 37.2603 178.3551 50 A 4.0831 8.3259 121.5341 55.1756 17.9702 178.8536 51 Y 3.8635 8.1367 117.3576 61.3634 38.9558 177.9095 52 Y 4.3583 8.0810 115.8460 60.6794 38.2172 177.5323 53 L 4.1348 8.4564 118.6649 54.7664 42.8057 176.0879 54 N 4.0600 7.8239 116.4684 54.4819 37.5641 173.3217 55 C 4.8112 7.4849 115.7159 56.6264 35.4944 171.3397 56 P 4.3295 0.0000 0.0000 62.6571 31.6640 177.0882 57 L 4.0476 8.7859 124.0094 58.4330 42.0719 178.4292 58 E 4.8212 8.0237 114.6741 57.4048 29.6272 177.3195 59 D 4.5255 8.2643 119.1132 56.2981 41.4996 177.1679 60 I 4.0152 7.6600 119.0692 62.0375 39.5320 175.5830 61 F 5.2530 8.5936 121.4986 55.7592 42.1640 174.4673 62 Q 4.9146 9.3156 124.0612 53.5386 31.1921 175.1247 63 W 4.7802 9.0364 135.0000 57.4602 31.7856 175.5440 64 Q 4.0725 8.3234 126.7539 53.8162 28.5192 174.2484 65 P 2.0000 0.0000 0.0000 62.0580 31.9770 176.4042 66 E 4.1016 7.7099 121.8830 56.6577 29.4698 174.4659 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 4.60 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 2 I 8.51 4.89 2.02 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 1.57 1.11 1.16 0.00 0.00 3 I 8.61 4.53 1.89 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 1.30 0.64 0.91 0.00 0.00 4 N 8.81 5.37 0.00 2.41 2.92 0.00 0.00 6.01 8.04 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 5 N 8.51 4.91 0.00 2.70 2.73 0.00 0.00 6.82 6.28 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 6 L 8.27 3.82 0.00 1.57 1.73 0.92 0.52 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 7 K 7.92 4.02 0.00 1.84 1.76 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.49 1.61 7.81 8 L 7.81 3.91 0.00 1.72 1.61 0.90 1.03 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 9 I 7.75 3.68 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.53 0.89 0.00 0.00 10 R 8.24 3.86 0.00 1.92 2.09 0.00 3.27 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 1.82 1.69 0.00 11 E 8.40 3.93 0.00 2.27 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 2.32 2.42 0.00 12 K 7.97 3.97 0.00 2.07 1.96 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.36 7.81 13 K 7.88 4.19 0.00 2.02 1.84 0.00 1.89 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.56 7.81 14 K 7.87 3.90 0.00 1.92 1.92 0.00 1.70 0.00 0.00 1.89 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.54 7.81 15 I 7.86 4.86 1.98 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 0.99 1.86 0.96 0.00 0.00 16 S 8.51 4.55 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 4.01 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 18 S 8.03 4.11 0.00 4.04 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 19 E 7.85 3.85 0.00 2.08 2.23 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 2.28 2.30 0.00 20 L 8.05 3.91 0.00 1.81 1.78 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.32 3.98 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.11 3.89 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 23 L 7.57 3.74 0.00 1.58 1.72 0.47 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.86 4.25 0.00 1.68 1.73 1.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.81 3.76 0.00 2.06 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 2.23 2.24 0.00 26 V 7.61 4.56 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 0.75 0.00 0.00 0.97 0.00 0.00 27 S 8.21 4.53 0.00 4.07 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.46 3.90 0.00 1.91 1.99 0.00 3.19 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 29 Q 8.16 4.04 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.72 2.58 0.00 30 T 8.03 4.18 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 1.30 0.00 0.00 31 I 7.60 3.75 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.33 0.94 0.00 0.00 32 N 8.66 4.40 0.00 2.87 2.89 0.00 0.00 7.16 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 33 G 8.36 2.49 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 0.00 0.00 0.00 0.00 34 I 7.66 4.08 2.11 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.24 1.15 0.00 0.00 35 E 7.98 4.08 0.00 2.08 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 2.52 0.00 36 K 7.81 4.30 0.00 1.58 1.75 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.52 7.81 37 N 7.80 4.31 0.00 2.90 2.95 0.00 0.00 6.89 7.76 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 38 K 8.24 4.30 0.00 1.23 1.91 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.27 7.81 39 Y 7.70 4.89 0.00 2.92 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 40 N 8.02 4.88 0.00 2.71 2.76 0.00 0.00 7.27 8.02 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 41 P 0.00 4.42 0.00 2.03 2.07 0.00 3.75 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.92 0.00 42 S 8.44 4.23 0.00 4.02 4.02 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 43 L 8.32 3.80 0.00 1.71 1.66 0.87 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 7.97 3.90 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 45 L 8.10 3.95 0.00 1.81 1.62 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.16 3.97 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 L 8.21 4.03 0.00 1.86 1.74 0.91 1.41 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 48 K 8.39 4.05 0.00 2.05 2.04 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.65 7.81 49 I 8.32 3.87 2.29 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.99 1.08 0.00 0.00 50 A 8.33 4.08 1.53 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 51 Y 8.14 3.86 0.00 2.97 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 52 Y 8.08 4.36 0.00 3.14 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 53 L 8.46 4.13 0.00 1.72 1.75 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 54 N 7.82 4.06 0.00 2.77 2.79 0.00 0.00 6.82 6.93 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 55 C 7.48 4.81 0.00 2.90 2.72 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 56 P 0.00 4.33 0.00 2.24 1.99 0.00 3.91 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 57 L 8.79 4.05 0.00 1.77 1.77 1.01 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.02 4.82 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 59 D 8.26 4.53 0.00 2.77 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 7.66 4.02 1.73 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.69 0.19 0.00 0.00 61 F 8.59 5.25 0.00 2.98 2.95 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 62 Q 9.32 4.91 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.01 0.00 0.00 0.00 0.00 0.00 2.49 2.29 0.00 63 W 9.04 4.78 0.00 3.27 3.21 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 64 Q 8.32 4.07 0.00 1.70 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.57 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 65 P 0.00 2.00 0.00 1.74 1.69 0.00 3.38 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.76 0.00 66 E 7.71 4.10 0.00 1.79 1.76 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 2.25 2.29 0.00