NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4371 8.3049 120.3473 55.5819 33.5215 175.5467 2 L 4.6850 8.0855 113.8255 53.2910 43.9472 175.1208 3 T 4.2322 8.1612 111.9525 64.7310 72.0115 177.7977 4 R 2.8716 6.9798 116.5777 58.4703 32.0778 176.7043 5 F 3.7474 7.1350 114.6301 56.5667 39.0307 175.6919 6 L 4.6581 8.1963 120.4600 53.1409 44.0783 176.4074 7 G 4.3624 8.5755 114.9162 43.8667 0.0000 170.7943 8 P 4.2506 0.0000 0.0000 65.8425 31.1429 179.0820 9 R 3.8013 7.9070 116.6895 59.4023 30.0082 178.0885 10 Y 4.1065 7.8396 116.1972 60.9655 37.9530 177.7061 11 R 4.0042 8.3017 119.2334 59.8105 30.2228 178.9543 12 Q 4.0299 8.3465 117.4611 58.9065 28.5513 179.0305 13 L 4.0395 8.2897 119.9353 57.6958 41.5192 178.9940 14 A 4.1482 8.3537 119.9264 55.8028 18.6265 179.7302 15 R 4.0849 7.9056 116.0390 59.4528 29.9326 179.1215 16 N 4.3288 7.9473 115.0401 55.2616 38.8274 176.5116 17 W 4.7146 7.8225 118.6181 56.7067 29.5225 178.4586 18 V 3.6543 7.6822 119.9731 65.7425 31.0698 175.7791 19 P 4.2952 0.0000 0.0000 66.1674 31.0480 178.7231 20 T 4.1087 7.9959 113.4174 66.8280 68.4288 176.5863 21 A 4.3370 8.5174 122.1405 54.1889 18.4256 179.2441 22 S 4.2497 8.1599 112.7600 60.5958 63.7834 176.4447 23 L 3.9923 8.2169 122.6364 57.5758 41.3160 179.5756 24 W 3.6444 8.9477 119.4649 59.3199 28.8939 178.8820 25 G 3.6392 7.8741 105.4189 47.4950 0.0000 175.3871 26 A 3.9753 8.0188 123.4475 55.1764 18.3405 179.4452 27 V 3.4482 7.7607 116.4868 66.2602 31.3549 178.0278 28 G 3.9108 8.4365 105.2085 48.0229 0.0000 175.1974 29 A 4.0232 8.3683 123.5970 54.5277 18.6988 179.4397 30 V 3.6914 7.6875 116.4904 66.4973 31.5452 178.2045 31 G 4.1445 7.9913 105.2531 48.1681 0.0000 175.3439 32 L 3.9511 8.2099 123.6405 57.3849 42.1904 179.0334 33 V 3.6679 8.5966 118.7621 65.7790 31.4788 177.2842 34 W 4.3970 8.6939 128.0122 60.9129 30.3197 177.8989 35 A 3.0525 8.0597 120.6202 54.1156 17.9345 178.1446 36 T 4.0538 7.1229 102.5528 60.7535 69.7947 174.6144 37 D 4.4115 7.7043 118.5377 55.6062 38.5328 173.4698 38 W 5.0637 8.7109 123.2657 56.2444 29.7782 179.8937 39 R 3.6456 8.8952 122.7705 56.5940 29.2615 178.0292 40 L 3.7576 9.0840 123.1515 59.5585 42.8554 176.5167 41 I 3.9379 7.6910 118.5863 64.0883 37.2208 178.1779 42 L 4.2902 8.6844 119.9791 57.3603 41.3107 178.8115 43 D 4.5143 8.5631 118.8547 57.0523 40.8245 178.0421 44 W 4.5370 8.2046 126.5746 57.4903 31.0628 175.5479 45 V 4.3539 7.3176 119.4436 61.1781 31.8535 174.1573 46 P 4.5199 0.0000 0.0000 63.9533 32.0320 176.4050 47 Y 4.2627 8.0694 119.2914 58.7029 39.8701 177.1506 48 I 4.0375 8.3490 119.9387 62.7001 37.7973 179.8586 49 N 3.6991 7.7175 113.9118 54.2294 39.7554 173.9309 50 G 4.2373 7.1881 109.8309 46.3233 0.0000 174.6220 51 K 4.2486 7.9397 122.3845 57.2091 33.5190 176.9752 52 F 4.3189 8.3578 119.1842 59.6110 39.9271 175.3299 53 K 4.7074 8.1111 118.8323 54.2884 33.8254 176.3041 54 K 4.2100 8.6118 122.1288 56.9538 32.6439 175.8463 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 8.30 4.44 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.64 0.00 2 L 8.09 4.68 0.00 1.69 1.63 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.16 4.23 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 4 R 6.98 2.87 0.00 1.52 1.73 0.00 2.88 0.00 0.00 2.63 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.80 0.00 5 F 7.13 3.75 0.00 2.93 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 4.66 0.00 1.69 1.56 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 7 G 8.58 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.25 0.00 2.18 2.15 0.00 3.66 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 9 R 7.91 3.80 0.00 1.73 1.49 0.00 3.03 0.00 0.00 3.02 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 10 Y 7.84 4.11 0.00 3.39 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 4.00 0.00 2.14 2.06 0.00 3.17 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 12 Q 8.35 4.03 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 13 L 8.29 4.04 0.00 2.06 1.88 1.07 1.11 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 14 A 8.35 4.15 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.91 4.08 0.00 1.99 2.00 0.00 3.15 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 16 N 7.95 4.33 0.00 2.70 2.53 0.00 0.00 7.02 8.73 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 17 W 7.82 4.71 0.00 3.36 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 18 V 7.68 3.65 2.15 0.00 0.00 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 1.00 0.00 0.00 19 P 0.00 4.30 0.00 2.21 2.13 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 20 T 8.00 4.11 4.81 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 0.00 0.00 1.71 0.00 0.00 21 A 8.52 4.34 1.48 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 22 S 8.16 4.25 0.00 4.14 4.18 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 3.99 0.00 2.16 1.75 0.90 0.79 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 W 8.95 3.64 0.00 3.71 3.24 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 0.00 25 G 7.87 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.02 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.76 3.45 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 0.81 0.00 0.00 0.47 0.00 0.00 28 G 8.44 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 0.00 0.00 0.00 29 A 8.37 4.02 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 30 V 7.69 3.69 2.15 0.00 0.00 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 0.97 0.00 0.00 31 G 7.99 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.21 3.95 0.00 1.80 1.90 0.75 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.60 3.67 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.08 0.00 0.00 34 W 8.69 4.40 0.00 3.40 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.06 3.05 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.12 4.05 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 37 D 7.70 4.41 0.00 2.92 2.83 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 38 W 8.71 5.06 0.00 3.27 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 39 R 8.90 3.65 0.00 1.64 1.43 0.00 2.94 0.00 0.00 2.98 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 40 L 9.08 3.76 0.00 1.40 1.64 0.74 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.69 3.94 1.99 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.96 0.96 0.00 0.00 42 L 8.68 4.29 0.00 1.92 1.85 1.12 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.56 4.51 0.00 2.82 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 44 W 8.20 4.54 0.00 3.46 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.32 4.35 2.32 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 1.00 0.00 0.00 1.12 0.00 0.00 46 P 0.00 4.52 0.00 2.13 2.07 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 2.05 2.06 0.00 47 Y 8.07 4.26 0.00 3.04 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 48 I 8.35 4.04 2.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.73 1.05 0.00 0.00 49 N 7.72 3.70 0.00 2.99 2.74 0.00 0.00 6.98 7.64 0.00 0.00 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 G 7.19 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 0.00 0.00 0.00 0.00 51 K 7.94 4.25 0.00 1.83 1.90 0.00 1.86 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.35 7.81 52 F 8.36 4.32 0.00 3.11 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 53 K 8.11 4.71 0.00 1.83 1.75 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 1.45 7.81 54 K 8.61 4.21 0.00 1.83 1.98 0.00 1.62 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.41 7.81