NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 3.8422 8.3349 115.3754 57.5922 64.3043 173.0213 2 Y 4.1487 6.2266 118.0784 57.7203 38.0961 175.0181 3 Q 4.5265 9.2819 121.4868 54.3796 30.9886 174.9766 4 V 4.6576 8.3626 113.4792 59.5905 34.3637 176.1740 5 I 4.2491 7.5749 113.2480 61.0259 39.6481 175.9467 6 C 4.9765 8.9579 118.8311 55.3607 43.4116 173.7230 7 R 4.1847 8.5841 125.2771 55.8624 30.5030 175.0785 8 D 5.0198 8.7518 128.3167 52.8378 41.7521 176.8626 9 E 4.3757 9.0027 124.3303 57.8656 30.2968 178.7784 10 K 3.8465 7.4625 119.2825 59.2159 32.1595 177.5640 11 T 4.5463 7.3640 108.3187 60.8816 70.3719 173.0829 12 Q 3.6507 8.5928 120.7738 57.7811 27.9693 171.8714 13 M 4.4216 7.2992 116.8585 53.2222 34.4288 174.4330 14 I 4.5526 7.7688 126.3747 60.3260 39.1573 174.2841 15 Y 4.5078 8.0525 122.1203 56.3366 42.2788 174.9872 16 Q 4.7849 8.3399 118.7154 55.0620 30.9129 175.3171 17 Q 4.2137 8.5155 118.8997 57.9272 29.7975 176.1542 18 H 4.5761 8.8405 119.4252 56.7646 27.2603 173.8531 19 Q 4.7972 8.0146 120.9691 54.9010 30.2932 174.6343 20 S 5.0534 8.9111 121.7683 57.2755 65.2587 173.9989 21 W 4.8862 8.2842 120.3215 55.1285 30.5744 174.0800 22 L 4.2529 8.4041 125.2692 54.4988 42.0896 176.7618 23 R 4.7956 8.7330 121.1646 53.5258 33.6438 173.8574 24 P 4.6157 0.0000 0.0000 62.8538 32.4103 176.0751 25 V 4.1419 7.9877 113.9576 60.1697 32.4239 176.1322 26 L 4.3786 7.9239 120.0008 56.4672 42.0997 178.2964 27 R 4.7905 7.4341 114.3526 56.4032 36.7689 176.2952 28 S 4.1354 8.5514 113.7517 59.5008 60.8137 174.6668 29 N 4.5643 9.0502 119.0259 54.8596 40.9171 172.8560 30 R 4.5603 7.7246 115.9654 55.1168 32.3563 175.3776 31 V 4.4300 8.1350 113.6998 59.8890 34.5762 175.0368 32 E 4.4953 8.7103 124.7588 55.6257 30.8021 174.8345 33 Y 4.2945 8.8152 127.9343 56.5365 40.3553 173.6589 34 C 5.1668 7.8179 123.5042 54.7007 42.0906 173.2248 35 W 5.2201 8.9070 121.0797 54.3930 31.8461 173.7965 36 C 4.7532 9.2414 122.4006 56.2837 43.4029 173.6665 37 N 4.7576 8.5640 125.3744 55.2869 39.1985 174.4313 38 S 4.6326 7.3404 113.5243 57.7624 66.5579 176.8927 39 G 4.3915 7.7571 119.6238 45.9705 0.0000 172.9333 40 R 4.2976 7.6381 115.3586 54.5239 29.8065 175.8434 41 A 3.7209 7.8817 119.0184 53.3973 15.4069 176.5350 42 Q 3.8895 8.2427 121.6091 56.3399 30.4571 173.6442 43 C 5.3525 8.0361 119.5065 57.0052 45.1395 172.3056 44 H 4.7905 9.1461 115.3425 55.2076 32.1035 172.3677 45 S 5.0178 8.6807 113.0641 56.5150 64.6364 172.9312 46 V 4.4652 7.9482 127.7280 60.1982 33.0670 173.5610 47 P 4.5497 0.0000 0.0000 62.4692 31.8587 176.5391 48 V 3.7558 8.1435 117.1936 63.9389 31.7492 176.7093 49 K 4.1149 7.9104 120.1749 56.3156 31.9921 176.6894 50 S 4.1217 8.3821 117.9182 58.6272 62.3241 173.4214 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 S 8.33 3.84 0.00 3.68 3.67 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 2 Y 6.23 4.15 0.00 3.12 2.92 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 0.00 0.00 0.00 3 Q 9.28 4.53 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 4 V 8.36 4.66 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.99 0.00 0.00 5 I 7.57 4.25 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.83 0.91 0.00 0.00 6 C 8.96 4.98 0.00 2.84 3.01 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 0.00 0.00 0.00 7 R 8.58 4.18 0.00 1.79 1.86 0.00 3.20 0.00 0.00 3.12 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 8 D 8.75 5.02 0.00 3.12 2.81 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 0.00 9 E 9.00 4.38 0.00 2.21 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 0.00 2.41 2.36 0.00 10 K 7.46 3.85 0.00 2.36 2.01 0.00 1.63 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.47 7.81 11 T 7.36 4.55 4.32 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 1.42 0.00 0.00 12 Q 8.59 3.65 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.35 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 13 M 7.30 4.42 0.00 1.98 1.80 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.18 0.00 14 I 7.77 4.55 1.62 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 1.20 0.52 0.78 0.00 0.00 15 Y 8.05 4.51 0.00 2.14 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 16 Q 8.34 4.78 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.98 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 17 Q 8.52 4.21 0.00 2.08 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.26 0.00 0.00 0.00 0.00 0.00 2.27 2.49 0.00 18 H 8.84 4.58 0.00 3.43 3.41 0.00 5.71 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.01 4.80 0.00 2.41 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.98 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 20 S 8.91 5.05 0.00 3.83 4.01 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 0.00 0.00 0.00 21 W 8.28 4.89 0.00 2.91 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.40 4.25 0.00 1.43 1.51 0.69 0.13 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 23 R 8.73 4.80 0.00 1.67 1.80 0.00 3.25 0.00 0.00 3.81 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 24 P 0.00 4.62 0.00 1.95 2.04 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 25 V 7.99 4.14 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 0.90 0.00 0.00 0.97 0.00 0.00 26 L 7.92 4.38 0.00 1.63 1.66 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.43 4.79 0.00 1.74 1.90 0.00 3.20 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 28 S 8.55 4.14 0.00 3.86 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.05 4.56 0.00 2.62 2.71 0.00 0.00 6.87 7.66 0.00 0.00 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 R 7.72 4.56 0.00 1.81 1.83 0.00 3.16 0.00 0.00 3.43 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 31 V 8.13 4.43 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 1.00 0.00 0.00 32 E 8.71 4.50 0.00 2.07 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 2.28 2.24 0.00 33 Y 8.82 4.29 0.00 2.84 2.17 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.82 5.17 0.00 2.06 1.20 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 0.00 35 W 8.91 5.22 0.00 3.35 3.40 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 36 C 9.24 4.75 0.00 3.40 3.35 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 37 N 8.56 4.76 0.00 2.69 2.76 0.00 0.00 7.17 7.74 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 38 S 7.34 4.63 0.00 4.02 4.08 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 39 G 7.76 4.39 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 0.00 40 R 7.64 4.30 0.00 1.87 1.99 0.00 3.11 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.46 0.00 41 A 7.88 3.72 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.24 3.89 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.42 0.00 0.00 0.00 0.00 0.00 1.95 2.00 0.00 43 C 8.04 5.35 0.00 2.78 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 H 9.15 4.79 0.00 3.09 3.43 0.00 5.20 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.68 5.02 0.00 3.87 3.77 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 46 V 7.95 4.47 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.92 0.00 0.00 47 P 0.00 4.55 0.00 2.20 2.08 0.00 3.56 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 48 V 8.14 3.76 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 0.84 0.00 0.00 0.94 0.00 0.00 49 K 7.91 4.11 0.00 1.77 1.82 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.43 7.81 50 S 8.38 4.12 0.00 3.77 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00