NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4367 8.2893 120.3261 54.4744 33.8382 176.0107 2 P 4.4328 0.0000 0.0000 65.7884 29.8092 174.6923 3 R 3.8106 7.4144 118.0601 52.9542 33.4423 177.9531 4 L 4.9687 8.6869 123.4413 53.2104 44.1608 175.6530 5 K 4.8086 8.7070 126.1404 54.9440 32.6063 174.5682 6 V 4.4164 8.3265 119.3661 60.0316 33.3257 175.2935 7 K 4.7919 8.7506 124.9044 52.8700 34.8876 174.5700 8 L 4.1710 8.5513 129.9463 55.8193 42.7921 177.0908 9 V 4.5694 8.7865 118.3830 60.6363 33.4691 175.6605 10 K 4.4101 7.7986 121.5857 54.3172 34.7591 175.6844 11 S 4.1036 8.8772 121.1628 58.4589 62.7033 172.1363 12 P 4.3089 0.0000 0.0000 63.5095 31.7451 175.3447 13 I 4.0412 7.7006 119.9451 65.7425 36.0644 173.9747 14 G 3.4347 8.5612 117.2725 45.4669 0.0000 172.3084 15 Y 4.2830 8.2221 118.5541 56.2061 38.8915 174.0500 16 P 4.4045 0.0000 0.0000 62.6517 33.4663 177.6884 17 K 3.9965 8.6280 119.0557 59.9755 32.0988 179.0558 18 D 4.4374 8.2744 118.6691 57.1137 38.7403 178.7189 19 Q 4.0836 7.9654 118.7051 58.3455 28.5701 178.2213 20 K 4.1023 8.0079 117.9440 58.1243 32.3511 179.0169 21 A 4.1148 7.7691 121.1561 55.0352 18.6119 178.9052 22 A 3.9125 7.8931 119.3165 55.6771 18.3311 179.7336 23 L 3.8706 7.6476 117.1639 57.9790 41.7561 179.7761 24 K 4.0862 8.3310 119.4114 59.0318 31.8509 178.9098 25 A 3.9974 7.7158 120.2224 55.0121 18.5922 178.8154 26 L 4.2382 8.0715 114.4542 54.6333 41.7665 177.4874 27 G 3.8389 7.5683 106.7133 46.3759 0.0000 173.6986 28 L 4.5649 8.2341 120.8126 53.3584 41.3726 176.0511 29 R 4.2309 8.4215 123.9097 57.3413 31.4691 178.5318 30 R 4.3608 7.3842 117.9458 55.0870 32.1596 176.1938 31 L 4.2265 8.0635 118.2804 55.7230 42.3358 178.8580 32 Q 3.7758 9.1652 119.1447 56.2441 28.0110 173.8262 33 Q 4.0921 7.7170 120.5375 56.2884 29.7480 175.2541 34 E 4.8396 8.6825 125.8853 55.8498 32.0728 176.2306 35 R 4.4701 8.7747 119.9597 55.6504 35.0277 174.4917 36 V 4.6368 8.4515 118.2962 60.4678 33.0883 175.3582 37 L 4.8521 9.0030 124.7692 52.6965 46.0002 176.4256 38 E 4.5899 8.5367 120.1718 56.5397 31.0204 178.1783 39 D 4.6294 8.5818 123.9871 54.2554 43.7918 176.3420 40 T 3.9582 7.9471 112.0971 62.3799 69.2543 172.5695 41 P 4.2958 0.0000 0.0000 65.2901 30.9095 178.5266 42 A 4.2024 7.9442 119.2474 54.1730 17.5333 178.8620 43 I 3.7354 7.6236 116.4924 62.6651 37.4546 177.6636 44 R 4.3417 7.7502 119.8619 58.5343 30.2399 178.1609 45 G 3.6785 7.9029 105.1466 48.1170 0.0000 175.3669 46 N 4.4506 7.8096 118.1527 55.6677 38.3070 177.5036 47 V 3.6897 6.9492 116.4332 65.2952 31.7839 177.5872 48 E 4.1225 8.3534 119.0328 58.8338 29.0814 178.9012 49 K 3.9755 7.8903 119.0432 59.0312 32.5981 178.9784 50 V 4.1096 7.3140 111.4031 60.6016 32.4098 178.0465 51 A 3.9379 7.5664 124.7742 55.7761 18.2476 180.3272 52 H 4.2847 7.9527 107.7737 56.9330 29.0367 175.6392 53 L 4.3807 7.8145 120.2631 54.8557 43.5555 176.4614 54 V 4.5083 6.9186 116.3644 60.8314 33.7313 174.3590 55 R 4.6063 8.0986 123.4248 54.5165 32.3344 174.5078 56 V 4.8809 8.4547 125.7357 61.3151 34.2915 173.6363 57 E 4.8097 8.6245 125.4322 54.4804 34.1127 173.9455 58 V 4.6492 8.2642 119.7154 61.0779 33.9973 175.3035 59 V 4.0896 8.4654 127.4166 63.0670 31.3417 175.0252 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 8.29 4.44 0.00 2.02 2.24 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 P 0.00 4.43 0.00 2.25 2.11 0.00 3.79 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.04 0.00 3 R 7.41 3.81 0.00 2.02 2.01 0.00 3.09 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.00 0.00 4 L 8.69 4.97 0.00 1.60 1.56 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.71 4.81 0.00 1.83 1.68 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.38 7.81 6 V 8.33 4.42 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 0.62 0.00 0.00 0.98 0.00 0.00 7 K 8.75 4.79 0.00 1.78 1.63 0.00 1.88 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.36 7.81 8 L 8.55 4.17 0.00 1.69 1.54 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.79 4.57 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 0.79 0.00 0.00 1.04 0.00 0.00 10 K 7.80 4.41 0.00 1.61 1.55 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.43 7.81 11 S 8.88 4.10 0.00 3.89 3.83 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 12 P 0.00 4.31 0.00 2.27 2.18 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 13 I 7.70 4.04 1.92 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 1.38 0.58 0.94 0.00 0.00 14 G 8.56 3.43 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 0.00 0.00 0.00 0.00 15 Y 8.22 4.28 0.00 3.07 2.97 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 16 P 0.00 4.40 0.00 2.38 2.00 0.00 3.96 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 17 K 8.63 4.00 0.00 1.78 1.88 0.00 1.72 0.00 0.00 1.89 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.46 7.81 18 D 8.27 4.44 0.00 2.88 2.97 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 19 Q 7.97 4.08 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 20 K 8.01 4.10 0.00 1.88 1.88 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.49 7.81 21 A 7.77 4.11 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 22 A 7.89 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 23 L 7.65 3.87 0.00 1.82 1.71 0.86 0.73 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 24 K 8.33 4.09 0.00 1.81 1.98 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 25 A 7.72 4.00 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 26 L 8.07 4.24 0.00 1.73 1.71 0.89 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.57 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 28 L 8.23 4.56 0.00 1.68 1.61 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.42 4.23 0.00 1.77 1.86 0.00 3.15 0.00 0.00 3.22 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 30 R 7.38 4.36 0.00 1.79 1.87 0.00 3.20 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 31 L 8.06 4.23 0.00 1.70 1.57 0.92 0.79 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 32 Q 9.17 3.78 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 33 Q 7.72 4.09 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 34 E 8.68 4.84 0.00 1.88 1.84 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 2.25 2.42 0.00 35 R 8.77 4.47 0.00 1.70 1.77 0.00 3.10 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 36 V 8.45 4.64 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 0.69 0.00 0.00 0.92 0.00 0.00 37 L 9.00 4.85 0.00 1.48 1.54 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.54 4.59 0.00 1.85 1.82 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 2.31 2.25 0.00 39 D 8.58 4.63 0.00 2.54 2.56 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 0.00 0.00 0.00 0.00 40 T 7.95 3.96 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 41 P 0.00 4.30 0.00 2.19 2.09 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 42 A 7.94 4.20 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 43 I 7.62 3.74 1.87 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 1.52 1.11 0.90 0.00 0.00 44 R 7.75 4.34 0.00 2.07 2.03 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 45 G 7.90 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 7.81 4.45 0.00 2.74 2.86 0.00 0.00 6.66 7.56 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 47 V 6.95 3.69 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 0.81 0.00 0.00 0.95 0.00 0.00 48 E 8.35 4.12 0.00 2.15 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 2.52 2.45 0.00 49 K 7.89 3.98 0.00 1.93 2.01 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.50 7.81 50 V 7.31 4.11 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 0.66 0.00 0.00 0.95 0.00 0.00 51 A 7.57 3.94 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 52 H 7.95 4.28 0.00 3.28 3.48 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.81 4.38 0.00 1.59 1.64 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 54 V 6.92 4.51 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 0.70 0.00 0.00 0.86 0.00 0.00 55 R 8.10 4.61 0.00 1.91 1.71 0.00 3.10 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 56 V 8.45 4.88 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 0.82 0.00 0.00 0.91 0.00 0.00 57 E 8.62 4.81 0.00 2.02 1.74 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 2.18 2.21 0.00 58 V 8.26 4.65 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 0.92 0.00 0.00 0.93 0.00 0.00 59 V 8.47 4.09 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 0.79 0.00 0.00 0.93 0.00 0.00