NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5380 0.0000 0.0000 62.6170 33.7201 174.6807 2 M 5.2148 8.6342 120.5455 53.3585 34.9058 173.5929 3 I 4.8582 9.3405 125.1455 59.4650 40.9692 174.5417 4 S 5.4190 8.8739 119.7483 56.7504 66.4933 172.7978 5 C 4.8932 9.2537 121.8939 57.9663 34.3936 172.1429 6 D 5.6376 8.9510 126.7117 53.3232 41.8730 175.7458 7 M 4.7523 9.1289 119.7552 53.2353 35.2919 174.0735 8 A 3.7126 7.8359 121.4609 52.0791 18.9286 177.0335 9 Y 4.2705 8.7094 123.8234 58.6269 39.1730 175.2985 10 G 3.2457 6.8438 113.2698 45.3366 0.0000 174.9344 11 R 4.1356 7.4054 119.8884 55.9766 30.9116 177.0694 12 T 4.1713 8.4391 112.2260 61.2749 71.0943 175.6499 13 D 4.3488 8.5034 121.3737 57.6114 40.8272 179.0087 14 E 3.9732 8.0691 118.5235 59.5631 29.5106 179.2141 15 Q 4.0244 8.2374 118.1163 58.9610 28.6850 179.1223 16 K 4.0469 8.1301 119.5588 59.4594 32.0481 179.6984 17 R 3.9993 8.2099 118.2932 59.0179 29.9454 178.9724 18 A 3.9946 8.1503 120.8276 54.7866 18.3877 179.3571 19 L 3.8843 8.1537 119.2670 58.2844 42.1598 179.3211 20 S 3.9347 8.5753 114.3095 61.4658 62.9126 176.0117 21 A 4.0517 8.0337 124.9742 54.8205 18.0818 179.9473 22 G 3.4753 8.1116 103.8876 47.7854 0.0000 176.1236 23 L 3.8598 7.7882 121.5902 57.4007 41.6146 179.5347 24 L 3.9006 8.0188 119.3231 57.6240 41.5403 179.4994 25 R 3.8391 7.9933 118.5218 59.7349 30.0859 179.1036 26 V 3.6565 7.8105 112.0581 64.2965 31.5216 178.7991 27 I 3.7102 7.7714 119.7109 64.2070 36.9675 178.1639 28 S 4.3564 7.9744 115.3071 60.7997 62.0107 175.4790 29 E 3.8838 7.9705 120.3702 59.6719 29.4105 178.6640 30 A 4.1025 7.9178 118.8854 54.6272 18.3072 178.5351 31 T 4.3038 8.1001 110.1605 61.4537 68.0255 176.3289 32 G 3.7779 8.1846 107.8589 45.4631 0.0000 173.1794 33 E 4.2536 7.4732 121.6807 54.3818 30.6154 174.1141 34 P 4.5204 0.0000 0.0000 62.3510 32.2628 177.4547 35 R 4.0306 8.6708 116.9317 59.2922 29.3153 178.5674 36 E 4.0675 8.1687 116.9062 58.7806 29.5701 177.0650 37 N 4.6901 8.3405 114.8946 53.1648 38.8175 174.5144 38 I 4.6080 7.4176 120.5526 59.6134 38.5310 175.1657 39 F 4.6581 9.1756 130.9017 57.5672 40.8071 174.1412 40 F 5.5870 7.7300 126.8282 56.3256 42.3678 173.9169 41 V 3.9955 8.3938 124.6667 59.7109 34.4702 174.2602 42 I 4.5559 7.8171 124.5390 59.7436 38.8346 174.9844 43 R 4.7101 9.1428 126.6246 54.4116 32.5133 174.9608 44 E 5.8570 8.4169 122.5029 54.1441 33.1560 175.0999 45 G 4.4674 8.6303 108.0875 45.3159 0.0000 172.0884 46 S 4.9740 8.7459 114.7436 56.9536 64.5602 175.3996 47 G 3.7548 8.7186 109.2857 48.7173 0.0000 175.7200 48 I 3.7853 7.9003 118.7943 63.5072 38.0182 175.8550 49 N 4.7456 8.3218 115.5685 53.1595 38.7114 174.7484 50 F 4.6980 8.1947 116.9326 55.5373 42.4007 175.0290 51 V 4.3065 8.3302 122.9718 61.7171 32.7782 174.3143 52 E 4.6249 8.9440 126.0056 56.4547 31.2838 176.7151 53 H 4.6452 8.3339 113.6959 54.4609 30.5569 173.8409 54 G 3.8991 8.1293 108.6290 44.9701 0.0000 171.7619 55 E 4.6836 7.6971 120.3061 55.7574 32.5098 176.1835 56 H 4.3075 8.8536 115.2427 56.3264 28.7134 175.7019 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 P 0.00 4.54 0.00 2.05 2.06 0.00 3.79 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 2.03 2.02 0.00 2 M 8.63 5.21 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.71 0.00 3 I 9.34 4.86 1.97 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 1.45 1.00 0.84 0.00 0.00 4 S 8.87 5.42 0.00 3.90 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 5 C 9.25 4.89 0.00 3.31 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 D 8.95 5.64 0.00 2.74 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 7 M 9.13 4.75 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 8 A 7.84 3.71 0.96 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 0.00 0.00 9 Y 8.71 4.27 0.00 3.00 2.86 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 10 G 6.84 3.25 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 0.00 0.00 0.00 11 R 7.41 4.14 0.00 1.70 1.80 0.00 3.21 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.82 0.00 12 T 8.44 4.17 4.20 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 1.16 0.00 0.00 13 D 8.50 4.35 0.00 2.72 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.07 3.97 0.00 1.96 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 2.39 2.33 0.00 15 Q 8.24 4.02 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 16 K 8.13 4.05 0.00 1.94 1.86 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.60 7.81 17 R 8.21 4.00 0.00 2.05 1.98 0.00 3.28 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 18 A 8.15 3.99 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.15 3.88 0.00 1.90 1.98 0.91 0.98 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 20 S 8.58 3.93 0.00 4.23 4.40 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 21 A 8.03 4.05 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 G 8.11 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.79 3.86 0.00 1.54 1.28 0.79 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.02 3.90 0.00 1.83 1.68 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 25 R 7.99 3.84 0.00 1.94 2.06 0.00 3.07 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 26 V 7.81 3.66 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 0.84 0.00 0.00 0.97 0.00 0.00 27 I 7.77 3.71 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.93 0.90 0.00 0.00 28 S 7.97 4.36 0.00 3.95 4.05 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 0.00 0.00 0.00 29 E 7.97 3.88 0.00 2.00 2.19 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 2.32 2.35 0.00 30 A 7.92 4.10 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 31 T 8.10 4.30 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 1.27 0.00 0.00 32 G 8.18 3.78 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 0.00 0.00 0.00 33 E 7.47 4.25 0.00 1.89 1.83 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 2.31 2.30 0.00 34 P 0.00 4.52 0.00 2.44 2.17 0.00 3.77 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 1.96 0.00 35 R 8.67 4.03 0.00 2.01 2.24 0.00 2.96 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 36 E 8.17 4.07 0.00 1.98 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 0.00 2.33 2.41 0.00 37 N 8.34 4.69 0.00 2.85 2.87 0.00 0.00 6.88 7.02 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 38 I 7.42 4.61 1.99 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 1.13 0.72 0.92 0.00 0.00 39 F 9.18 4.66 0.00 3.20 2.96 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 40 F 7.73 5.59 0.00 2.74 2.67 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 41 V 8.39 4.00 2.06 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 0.98 0.00 0.00 0.88 0.00 0.00 42 I 7.82 4.56 1.63 0.00 0.00 0.81 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 -0.36 0.86 0.00 0.00 43 R 9.14 4.71 0.00 1.89 1.86 0.00 3.41 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 44 E 8.42 5.86 0.00 1.98 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 2.24 2.17 0.00 45 G 8.63 4.47 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 0.00 46 S 8.75 4.97 0.00 4.05 3.99 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 0.00 0.00 0.00 47 G 8.72 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.90 3.79 1.90 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.77 0.95 0.00 0.00 49 N 8.32 4.75 0.00 2.98 2.65 0.00 0.00 6.76 7.06 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 50 F 8.19 4.70 0.00 3.01 2.96 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 51 V 8.33 4.31 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 0.79 0.00 0.00 0.64 0.00 0.00 52 E 8.94 4.62 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 53 H 8.33 4.65 0.00 3.13 3.35 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.13 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 55 E 7.70 4.68 0.00 2.04 1.92 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 2.19 2.35 0.00 56 H 8.85 4.31 0.00 3.14 3.34 0.00 5.93 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00