NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4830 8.0333 111.0751 61.7424 70.8333 172.8094 2 M 4.6475 8.8352 123.9294 55.2338 33.5346 173.3174 3 C 5.0204 9.8788 119.6287 55.7871 46.1132 172.5426 4 Y 4.9752 8.5588 118.0299 57.9906 38.8633 175.5296 5 S 4.7954 8.8489 116.0809 56.8343 66.4724 172.5813 6 H 4.7839 8.4699 122.2816 56.2597 32.0060 173.4757 7 T 5.0708 8.5080 110.4878 60.0661 70.9814 174.0370 8 T 4.1302 8.5299 110.2280 63.9962 68.9836 174.7531 9 T 4.6223 8.2336 111.6335 61.0059 69.3307 173.5585 10 S 4.7525 7.7141 114.9447 56.3591 66.0739 173.7172 11 R 3.9515 8.3319 121.2575 55.8771 30.5394 175.8424 12 A 4.5134 8.3596 125.1017 52.0285 18.8471 177.0331 13 I 4.5409 8.6079 116.4627 59.3921 41.0169 174.1867 14 L 5.1606 8.3964 124.9495 53.6296 43.7038 175.4354 15 T 4.7120 9.1656 116.1227 59.7128 72.8909 172.7424 16 N 4.7830 8.6947 121.5135 53.4370 37.4681 175.3212 17 C 4.6458 9.0052 123.2053 55.9984 41.7048 175.0466 18 G 3.6595 7.9272 110.2126 47.1182 0.0000 177.2927 19 E 4.5386 8.6450 115.1602 53.9706 28.4737 173.8745 20 N 5.0243 8.0531 122.7792 52.3549 43.0914 173.4734 21 S 4.7340 8.3379 115.4828 58.1273 65.3079 173.4205 22 C 5.6425 8.9325 117.3662 55.4219 40.6544 172.6898 23 Y 5.5505 8.3252 117.3945 55.5642 41.8465 174.0530 24 R 4.7005 9.3472 120.7836 54.5844 33.4255 173.6683 25 K 5.2166 9.3478 128.8380 54.7749 34.6265 175.0137 26 S 5.1777 8.9864 121.0807 56.4096 67.6179 172.9704 27 R 4.2427 9.2059 121.9872 56.2228 30.0168 177.3104 28 R 3.9823 8.7400 127.7222 58.7008 30.6018 176.1699 29 H 5.0978 7.8259 114.0735 52.6828 31.7243 171.9437 30 P 4.4631 0.0000 0.0000 62.0767 31.7472 174.6022 31 P 4.4232 0.0000 0.0000 62.6252 32.5542 177.3594 32 K 4.8256 8.2241 123.7643 55.2347 31.3329 177.0812 33 M 4.2355 7.4920 119.8297 55.3480 33.8591 177.6715 34 V 4.0744 8.2822 123.0378 62.9089 31.8543 175.6344 35 L 4.4814 9.3167 128.0658 54.2496 42.5179 177.1711 36 G 4.2017 7.2308 111.9941 45.5646 0.0000 171.6765 37 R 4.5119 6.6766 118.0618 52.9689 34.5508 175.8290 38 G 3.4975 6.0504 105.7119 46.1682 0.0000 172.9329 39 C 4.6735 8.6627 116.5444 57.3271 41.1970 173.6258 40 G 3.8360 10.1077 109.0554 45.0583 0.0000 173.2777 41 C 4.8201 7.9922 116.6973 54.1819 43.9398 170.7697 42 P 4.4459 0.0000 0.0000 60.5686 32.0163 175.3626 43 P 4.1527 0.0000 0.0000 62.9682 31.3457 176.2830 44 G 3.8204 8.3919 110.1169 45.8881 0.0000 172.4170 45 D 4.6628 8.5638 114.8141 52.9011 42.4636 177.3846 46 D 4.6430 8.2915 116.9523 54.1175 39.8834 173.7896 47 N 4.7266 8.3621 118.0863 53.9274 41.3783 174.4416 48 L 5.1160 7.3738 116.0488 52.7323 44.4617 175.4255 49 E 4.6128 9.3948 125.8722 55.0742 31.4139 174.9458 50 V 4.8840 8.5114 128.3818 61.8604 33.9871 174.9614 51 K 4.7793 9.0924 132.0231 53.7033 34.2519 171.1454 52 C 6.2836 9.1093 121.0560 53.8332 44.5958 171.8359 53 C 5.1582 8.5780 114.9546 54.4820 45.0721 173.9089 54 T 4.3528 8.5047 111.5460 62.4619 70.3389 174.1622 55 S 4.6199 7.4527 114.7888 57.5183 64.5325 174.6960 56 P 4.6814 0.0000 0.0000 60.9362 33.2940 174.1455 57 D 4.4291 8.3566 117.0567 55.6668 40.9409 176.9265 58 K 3.7312 8.7452 119.7628 57.5449 30.2247 175.4286 59 C 4.4665 7.9115 115.6484 57.7605 41.9046 173.9473 60 N 4.6941 8.1881 116.2575 52.9514 37.2140 174.2951 61 Y 4.1889 7.8046 125.3152 58.5154 38.7636 175.8659 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 T 8.03 4.48 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 1.20 0.00 0.00 2 M 8.84 4.65 0.00 1.84 1.90 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 2.55 2.68 0.00 3 C 9.88 5.02 0.00 2.68 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Y 8.56 4.98 0.00 3.04 2.88 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 5 S 8.85 4.80 0.00 3.81 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 8.47 4.78 0.00 3.46 3.49 0.00 5.46 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.51 5.07 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 1.23 0.00 0.00 8 T 8.53 4.13 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 1.28 0.00 0.00 9 T 8.23 4.62 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 1.22 0.00 0.00 10 S 7.71 4.75 0.00 3.96 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.33 3.95 0.00 1.79 1.87 0.00 3.22 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 12 A 8.36 4.51 1.14 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 13 I 8.61 4.54 1.90 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 1.34 1.16 0.94 0.00 0.00 14 L 8.40 5.16 0.00 1.57 1.52 0.25 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 15 T 9.17 4.71 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 1.20 0.00 0.00 16 N 8.69 4.78 0.00 2.66 2.76 0.00 0.00 6.99 7.65 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 17 C 9.01 4.65 0.00 3.15 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 7.93 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.64 4.54 0.00 2.05 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 2.17 2.25 0.00 20 N 8.05 5.02 0.00 2.65 2.76 0.00 0.00 7.09 7.51 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 21 S 8.34 4.73 0.00 4.01 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 22 C 8.93 5.64 0.00 2.90 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 23 Y 8.33 5.55 0.00 3.03 3.21 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 0.00 24 R 9.35 4.70 0.00 2.04 1.85 0.00 3.36 0.00 0.00 3.13 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 25 K 9.35 5.22 0.00 2.02 1.97 0.00 1.54 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.35 7.81 26 S 8.99 5.18 0.00 3.95 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 27 R 9.21 4.24 0.00 2.00 1.98 0.00 3.10 0.00 0.00 3.38 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 28 R 8.74 3.98 0.00 1.80 1.91 0.00 3.21 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.43 0.00 29 H 7.83 5.10 0.00 3.16 3.14 0.00 5.77 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.46 0.00 2.05 2.00 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 31 P 0.00 4.42 0.00 2.17 2.05 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 32 K 8.22 4.83 0.00 1.76 1.82 0.00 1.81 0.00 0.00 2.61 0.00 0.00 3.24 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.63 1.42 7.81 33 M 7.49 4.24 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.63 0.00 34 V 8.28 4.07 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 0.88 0.00 0.00 0.87 0.00 0.00 35 L 9.32 4.48 0.00 1.54 1.71 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.23 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 37 R 6.68 4.51 0.00 1.72 1.72 0.00 3.28 0.00 0.00 3.38 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 38 G 6.05 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.66 4.67 0.00 3.03 3.06 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 0.00 0.00 0.00 0.00 40 G 10.11 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 C 7.99 4.82 0.00 2.93 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 42 P 0.00 4.45 0.00 1.97 1.75 0.00 3.43 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.86 0.00 43 P 0.00 4.15 0.00 2.16 2.09 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 44 G 8.39 3.82 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 0.00 0.00 0.00 45 D 8.56 4.66 0.00 2.67 2.52 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 46 D 8.29 4.64 0.00 2.98 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 47 N 8.36 4.73 0.00 2.85 2.93 0.00 0.00 6.84 6.20 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 48 L 7.37 5.12 0.00 1.64 1.52 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 49 E 9.39 4.61 0.00 1.97 1.80 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 2.26 2.24 0.00 50 V 8.51 4.88 2.05 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 0.84 0.00 0.00 0.87 0.00 0.00 51 K 9.09 4.78 0.00 1.46 1.64 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.28 1.26 7.81 52 C 9.11 6.28 0.00 2.84 3.10 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 0.00 0.00 0.00 0.00 53 C 8.58 5.16 0.00 2.96 3.20 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 54 T 8.50 4.35 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 1.22 0.00 0.00 55 S 7.45 4.62 0.00 3.95 3.81 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 56 P 0.00 4.68 0.00 2.22 2.24 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 57 D 8.36 4.43 0.00 2.62 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.75 3.73 0.00 2.01 2.05 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.08 1.27 7.81 59 C 7.91 4.47 0.00 3.08 3.44 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 0.00 60 N 8.19 4.69 0.00 2.93 2.99 0.00 0.00 5.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 7.80 4.19 0.00 3.23 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