NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3852 8.3349 115.2800 58.1833 63.5240 173.7412 2 C 4.7445 8.2768 124.2614 53.6919 43.1076 171.5937 3 P 4.5360 0.0000 0.0000 63.2980 32.4476 175.7980 4 H 5.1828 8.5797 116.7113 56.0006 28.9897 175.6331 5 T 3.9824 7.8914 116.9291 63.8630 68.7305 173.1970 6 Y 4.7931 8.7220 129.4639 57.3721 39.2494 176.5042 7 K 4.6760 8.6234 132.0737 52.4527 33.6533 169.3206 8 P 5.2437 0.0000 0.0000 62.6143 32.0359 176.7275 9 V 4.4674 8.3716 121.3275 61.1614 35.5153 174.3563 10 C 4.2882 7.6077 127.2155 55.3998 45.8416 172.9179 11 G 4.3678 8.9340 113.9086 45.4828 0.0000 174.4982 12 A 4.1877 8.9205 125.2263 53.9379 18.4888 178.2393 13 N 4.6759 8.1869 112.3020 52.3768 37.4400 176.3921 14 G 4.2044 8.4446 108.6434 45.0451 0.0000 173.1538 15 E 4.4772 8.1273 119.9481 55.0380 31.4537 175.4344 16 V 4.3387 8.1235 123.7803 62.4074 32.7142 174.5586 17 Y 4.5733 8.8432 125.7756 56.2240 40.0582 176.4911 18 D 4.5994 8.9547 123.0370 57.8132 41.3489 176.2341 19 N 5.6926 7.9328 115.4023 51.7172 41.0980 174.5602 20 E 3.9266 8.7408 120.1127 59.5789 29.5033 179.0672 21 C 4.1594 8.1786 118.0274 59.7360 43.5730 175.4817 22 F 4.0451 8.5832 118.5365 60.0795 38.6781 177.2717 23 L 3.1126 7.9946 120.2126 57.9784 41.8598 178.7374 24 N 4.2310 8.1292 116.4268 56.3240 38.2307 177.4905 25 K 3.8712 7.8387 118.5781 59.3467 32.2110 178.7590 26 A 4.2104 7.5023 119.1631 52.7196 18.3713 178.4942 27 G 3.8034 7.8065 105.0238 45.6669 0.0000 173.3102 28 I 4.2883 7.1303 119.4199 59.5290 38.7980 175.3095 29 E 4.3091 8.3293 123.5613 55.1929 30.8827 174.4973 30 P 4.6831 0.0000 0.0000 62.4713 32.0737 176.3002 31 A 4.1277 8.6909 125.2472 51.7880 18.5991 177.8867 32 E 4.0468 8.7679 119.3528 59.1436 30.0576 177.7073 33 S 4.7168 7.4921 110.7287 56.3482 66.0704 174.9443 34 W 4.0064 8.9011 121.0398 59.4787 29.1733 178.0508 35 E 4.3552 8.1400 118.7773 58.7809 29.2949 179.0998 36 T 3.9467 8.0958 115.1072 66.0425 68.5798 174.7357 37 C 5.1728 9.5974 119.1440 54.9455 40.0534 174.1635 38 R 5.0113 7.3337 122.2984 55.2302 32.7786 178.6159 39 G 4.0182 8.2085 105.9862 46.8076 0.0000 173.7743 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 4.39 0.00 3.82 3.80 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 2 C 8.28 4.74 0.00 2.36 2.22 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 0.00 3 P 0.00 4.54 0.00 2.09 2.00 0.00 3.57 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 4 H 8.58 5.18 0.00 3.20 3.39 0.00 5.72 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.89 3.98 4.33 0.00 0.00 0.00 0.00 0.00 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 6 Y 8.72 4.79 0.00 2.87 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 7 K 8.62 4.68 0.00 1.42 1.62 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.27 1.26 7.81 8 P 0.00 5.24 0.00 2.25 1.73 0.00 2.88 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.46 0.00 9 V 8.37 4.47 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.99 0.00 0.00 10 C 7.61 4.29 0.00 1.23 1.69 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 0.00 0.00 0.00 0.00 11 G 8.93 4.37 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 0.00 12 A 8.92 4.19 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.19 4.68 0.00 2.88 2.96 0.00 0.00 6.17 7.00 0.00 0.00 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 G 8.44 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 0.00 0.00 0.00 0.00 15 E 8.13 4.48 0.00 1.95 1.43 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 2.17 2.20 0.00 16 V 8.12 4.34 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 0.99 0.00 0.00 1.11 0.00 0.00 17 Y 8.84 4.57 0.00 2.97 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 18 D 8.95 4.60 0.00 2.73 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 19 N 7.93 5.69 0.00 3.03 3.14 0.00 0.00 6.36 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 20 E 8.74 3.93 0.00 2.06 1.99 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 2.34 2.34 0.00 21 C 8.18 4.16 0.00 2.92 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.58 4.05 0.00 3.31 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 23 L 7.99 3.11 0.00 1.78 1.70 0.87 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.13 4.23 0.00 2.83 2.78 0.00 0.00 7.10 7.43 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 25 K 7.84 3.87 0.00 1.93 1.90 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.44 7.81 26 A 7.50 4.21 1.19 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 0.00 0.00 27 G 7.81 3.80 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 0.00 28 I 7.13 4.29 1.58 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 1.43 0.91 0.90 0.00 0.00 29 E 8.33 4.31 0.00 1.85 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 2.35 2.25 0.00 30 P 0.00 4.68 0.00 1.87 1.90 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 31 A 8.69 4.13 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.77 4.05 0.00 1.96 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 0.00 2.30 2.23 0.00 33 S 7.49 4.72 0.00 4.01 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.90 4.01 0.00 3.45 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 35 E 8.14 4.36 0.00 2.08 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 0.00 2.35 2.35 0.00 36 T 8.10 3.95 4.25 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 1.23 0.00 0.00 37 C 9.60 5.17 0.00 3.04 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 0.00 38 R 7.33 5.01 0.00 1.87 1.88 0.00 3.27 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.17 0.00 39 G 8.21 4.02 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 0.00 0.00 0.00