NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4539 8.1633 120.6048 55.4394 34.2736 173.7244 2 Q 4.9731 8.3254 122.6292 52.2679 32.0897 173.0684 3 I 4.6304 8.9307 117.0546 59.0638 42.3622 173.5374 4 F 5.4708 8.9419 120.8663 55.6824 42.6154 174.7131 5 V 4.7855 8.9749 122.3301 61.0442 34.4023 174.4274 6 K 4.7930 9.3450 128.7605 55.9644 33.4328 177.6752 7 T 4.5151 8.7555 116.0583 60.4789 70.1856 175.5161 8 L 4.0123 8.5105 121.0978 57.8375 41.5237 178.6352 9 T 4.1629 7.7849 105.7317 61.6832 69.3834 175.3028 10 G 4.0016 7.8009 110.4905 45.0445 0.0000 173.8056 11 K 4.1386 7.9304 121.0864 56.2882 32.8730 175.5874 12 T 4.9180 8.2899 122.0832 62.6233 69.7347 174.0329 13 I 4.6352 9.1207 119.8152 59.4352 40.5874 174.3799 14 T 5.0700 8.5802 121.3905 62.1986 70.2915 173.9537 15 L 4.8060 8.6292 125.4963 52.8171 45.5283 174.8925 16 E 4.9419 8.6643 123.1083 54.9377 30.8576 175.1652 17 V 4.6784 8.6845 119.5314 60.0261 36.5368 174.3035 18 E 4.7318 9.2575 121.0916 53.9832 31.5136 176.0987 19 P 4.1920 0.0000 0.0000 65.7274 31.3514 177.8177 20 S 4.7987 7.8067 112.3069 57.9910 63.1129 173.6959 21 D 4.4394 7.8836 122.0893 54.6128 41.2447 176.6635 22 T 4.6178 8.2455 113.5546 61.4831 71.1006 175.8026 23 I 3.7373 8.5273 123.4221 64.5142 37.0926 178.3647 24 E 3.9792 8.3915 120.2390 59.4371 29.2549 178.7443 25 N 4.3407 8.0879 116.0573 56.2457 38.6046 177.6031 26 V 3.5911 7.8595 119.6578 65.8155 31.5730 178.1593 27 K 3.9129 8.6832 118.3459 59.4662 31.9218 178.8186 28 A 3.9912 8.0689 120.9299 55.4569 17.9929 179.9325 29 K 3.9407 7.5951 115.5568 59.4669 32.3935 179.2247 30 I 3.8401 7.8390 120.1138 64.7969 36.9779 178.1175 31 Q 4.1884 8.2378 118.5636 59.5400 28.3507 179.3202 32 D 4.3225 7.9256 118.5773 57.3360 40.9353 178.7054 33 K 4.1471 7.8435 117.9298 58.0094 32.5066 177.8052 34 E 4.1420 7.1522 118.1181 55.9621 30.1524 177.5181 35 G 4.0533 8.3714 110.8908 44.8768 0.0000 174.3091 36 R 3.9296 8.5238 116.6812 58.4620 30.1328 178.9418 37 W 4.3197 8.2489 116.0955 58.0284 29.4455 177.3235 38 A 4.5654 8.0012 119.0713 53.1163 19.1612 178.3770 39 L 4.0089 7.6955 117.4584 57.5219 42.2622 178.2900 40 A 4.1194 7.4967 118.4623 52.9323 18.7422 177.3529 41 I 4.0527 6.8675 118.7545 59.1953 38.4475 173.7811 42 P 4.1613 0.0000 0.0000 62.8299 30.8376 174.8750 43 P 4.5652 0.0000 0.0000 63.6757 30.1728 176.2314 44 D 4.7200 8.0538 119.5643 55.9578 42.3866 177.7059 45 Q 4.2039 7.9373 116.8065 57.0057 29.4582 175.4421 46 Q 4.5475 7.2288 113.8215 56.4720 30.0299 175.4644 47 R 4.7626 8.7659 118.8294 54.5142 34.8468 174.3968 48 L 5.0857 8.3973 121.4568 53.6392 43.7467 175.5520 49 I 5.0952 8.7293 124.4756 59.6061 40.9990 174.5818 50 F 5.0300 8.8673 127.1565 57.3387 43.1383 174.1285 51 A 3.5819 8.8745 129.0196 53.2492 15.8412 177.5645 52 G 3.8840 8.3203 104.5568 46.8584 0.0000 173.9904 53 K 4.4643 7.5867 118.2901 53.9774 34.8824 175.3425 54 Q 4.2657 8.5524 124.6084 55.3810 29.1434 175.2828 55 L 3.8345 8.7183 128.4496 54.6789 42.4070 176.9353 56 E 4.3245 9.5856 124.4359 55.6892 30.4972 177.2529 57 D 4.3591 9.2668 124.7986 57.6390 41.0215 178.6313 58 G 3.9035 8.0108 104.0119 46.0824 0.0000 173.3862 59 R 4.5764 8.1509 120.1963 55.2925 32.2585 175.7733 60 T 4.8680 8.6494 111.1541 60.4245 71.0429 175.7061 61 L 4.0911 8.8954 123.0925 58.2187 42.2295 180.2999 62 S 4.0886 8.1503 113.4040 61.2533 63.1793 175.9831 63 D 4.2326 7.9165 120.2885 57.0489 40.5204 176.9851 64 Y 4.5912 7.3316 113.3447 56.9818 38.1978 174.7804 65 N 4.1633 7.8822 117.3133 54.4996 37.9267 174.0873 66 I 3.7145 7.8868 117.9537 60.2738 37.6112 175.7983 67 Q 4.5717 8.4825 124.4750 52.8302 31.5614 174.5988 68 K 3.8673 8.3653 118.4841 58.5424 32.0758 175.7155 69 E 3.7066 9.5179 124.8417 56.9647 27.7491 174.7036 70 S 4.5233 8.0628 115.9471 59.0416 64.1490 173.2059 71 T 5.1959 8.7262 119.7258 62.1292 70.1799 174.0011 72 L 5.0550 9.4129 126.8282 53.6424 44.7284 175.0862 73 H 5.3024 8.9368 117.9968 54.0723 32.0431 172.9016 74 L 4.9259 8.8672 123.8776 54.1165 42.5595 176.6048 75 V 4.5606 8.6397 116.1829 59.3429 36.3915 175.8792 76 L 4.2145 8.3772 122.3765 55.3463 42.0118 176.1868 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 4.45 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 2 Q 8.33 4.97 0.00 2.01 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.60 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 3 I 8.93 4.63 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.78 0.75 0.00 0.00 4 F 8.94 5.47 0.00 2.99 2.89 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 0.00 0.00 0.00 5 V 8.97 4.79 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.94 0.00 0.00 6 K 9.35 4.79 0.00 1.65 1.73 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.46 7.81 7 T 8.76 4.52 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 1.28 0.00 0.00 8 L 8.51 4.01 0.00 1.67 1.80 1.02 0.92 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 9 T 7.78 4.16 4.21 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 1.19 0.00 0.00 10 G 7.80 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 0.00 0.00 0.00 11 K 7.93 4.14 0.00 1.81 1.68 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.41 7.81 12 T 8.29 4.92 4.21 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 1.18 0.00 0.00 13 I 9.12 4.64 1.91 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 1.27 1.37 0.99 0.00 0.00 14 T 8.58 5.07 4.31 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 1.16 0.00 0.00 15 L 8.63 4.81 0.00 1.49 1.47 0.90 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.66 4.94 0.00 1.91 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.34 0.00 17 V 8.68 4.68 2.13 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 0.70 0.00 0.00 0.92 0.00 0.00 18 E 9.26 4.73 0.00 1.87 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 2.22 2.21 0.00 19 P 0.00 4.19 0.00 2.19 2.29 0.00 3.65 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 20 S 7.81 4.80 0.00 3.86 3.89 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 0.00 0.00 0.00 21 D 7.88 4.44 0.00 2.87 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.25 4.62 4.44 0.00 0.00 0.00 0.00 0.00 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 23 I 8.53 3.74 2.18 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 1.83 1.08 0.93 0.00 0.00 24 E 8.39 3.98 0.00 2.10 1.96 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 2.32 2.41 0.00 25 N 8.09 4.34 0.00 3.02 2.89 0.00 0.00 6.65 6.98 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 26 V 7.86 3.59 2.21 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 1.01 0.00 0.00 0.91 0.00 0.00 27 K 8.68 3.91 0.00 1.96 1.85 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.66 7.81 28 A 8.07 3.99 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 29 K 7.60 3.94 0.00 1.86 1.88 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.58 7.81 30 I 7.84 3.84 2.03 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 1.53 0.79 0.93 0.00 0.00 31 Q 8.24 4.19 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 32 D 7.93 4.32 0.00 2.86 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.84 4.15 0.00 1.93 1.89 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.56 1.63 7.81 34 E 7.15 4.14 0.00 2.26 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 2.38 2.49 0.00 35 G 8.37 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 0.00 0.00 0.00 36 R 8.52 3.93 0.00 1.52 1.60 0.00 3.04 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 37 W 8.25 4.32 0.00 3.28 3.31 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 38 A 8.00 4.57 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 39 L 7.70 4.01 0.00 1.85 1.68 0.96 1.47 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 40 A 7.50 4.12 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 41 I 6.87 4.05 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.65 0.93 0.00 0.00 42 P 0.00 4.16 0.00 2.21 2.24 0.00 3.70 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 2.09 1.99 0.00 43 P 0.00 4.57 0.00 2.21 2.21 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 44 D 8.05 4.72 0.00 2.82 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 45 Q 7.94 4.20 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.06 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 46 Q 7.23 4.55 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.43 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 47 R 8.77 4.76 0.00 1.72 1.76 0.00 3.11 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 48 L 8.40 5.09 0.00 1.59 1.56 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.73 5.10 1.90 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 1.34 0.91 0.00 0.00 50 F 8.87 5.03 0.00 3.06 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 51 A 8.87 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.32 3.88 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 0.00 0.00 0.00 53 K 7.59 4.46 0.00 1.91 1.61 0.00 1.89 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.42 1.35 7.81 54 Q 8.55 4.27 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 55 L 8.72 3.83 0.00 1.41 1.38 0.78 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 56 E 9.59 4.32 0.00 2.07 1.95 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 2.39 2.46 0.00 57 D 9.27 4.36 0.00 2.80 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.01 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 59 R 8.15 4.58 0.00 1.97 1.73 0.00 2.97 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 60 T 8.65 4.87 4.23 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 0.00 0.00 1.22 0.00 0.00 61 L 8.90 4.09 0.00 1.83 1.71 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 62 S 8.15 4.09 0.00 3.93 4.19 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 63 D 7.92 4.23 0.00 2.49 2.35 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 64 Y 7.33 4.59 0.00 3.01 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 65 N 7.88 4.16 0.00 2.93 3.03 0.00 0.00 7.12 7.69 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 66 I 7.89 3.71 1.81 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.00 0.59 0.00 0.00 67 Q 8.48 4.57 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 68 K 8.37 3.87 0.00 1.66 1.77 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.54 7.81 69 E 9.52 3.71 0.00 2.22 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.48 0.00 70 S 8.06 4.52 0.00 3.60 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 71 T 8.73 5.20 4.35 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 1.20 0.00 0.00 72 L 9.41 5.05 0.00 1.62 1.60 0.74 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 73 H 8.94 5.30 0.00 3.12 3.20 0.00 5.80 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.87 4.93 0.00 1.69 1.63 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 75 V 8.64 4.56 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 0.74 0.00 0.00 0.94 0.00 0.00 76 L 8.38 4.21 0.00 1.59 1.54 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00