NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8409 8.3549 109.7364 45.4081 0.0000 173.0482 2 S 4.4602 8.6566 121.2301 56.5734 63.7409 171.9346 3 S 4.7554 9.0910 120.7227 56.7308 67.4950 172.2004 4 G 3.6223 8.5892 114.0292 45.6976 0.0000 174.4688 5 S 4.6128 7.5490 115.8677 56.6091 64.3823 174.1776 6 S 4.0774 8.8180 116.3405 58.4357 62.5541 173.6577 7 G 3.8120 7.2720 103.6696 47.2796 0.0000 171.1807 8 Y 4.2624 8.1076 119.1507 58.4988 41.3784 176.6713 9 C 4.0033 8.0541 118.1955 58.2836 32.3566 174.8936 10 I 3.9505 8.3000 116.3679 64.1070 36.9034 176.6684 11 C 4.3933 8.1181 112.6436 57.8241 29.6698 172.7364 12 N 4.2229 8.3804 116.6886 55.2475 36.2515 173.6587 13 Q 4.8110 7.5906 114.1990 53.5567 32.7351 176.0505 14 V 4.1393 8.3692 112.8362 62.0821 32.0251 177.3637 15 S 4.3607 8.2148 118.4961 57.3120 61.1636 172.8841 16 Y 4.6276 7.4447 122.4705 54.5248 40.9163 176.2362 17 G 3.7043 8.8601 108.9141 45.2865 0.0000 172.1406 18 E 3.7569 8.2118 116.4780 57.1840 29.9304 176.5504 19 M 5.3375 8.6098 124.0653 53.3332 35.2020 175.9352 20 V 4.2059 8.5893 121.8431 59.6359 33.4900 175.2043 21 G 3.7358 8.1743 113.9983 45.2600 0.0000 172.0912 22 C 4.2162 8.7933 126.3494 59.9087 31.4169 173.1187 23 D 4.1137 7.8333 125.4196 57.0953 40.9745 175.8241 24 N 4.6394 7.9391 117.9044 52.5571 38.0761 174.9253 25 Q 4.1382 8.6697 125.9761 58.9755 29.0142 178.4599 26 D 4.4654 8.0889 116.4194 56.6061 39.8085 176.3562 27 C 4.0240 8.3199 120.5055 59.2542 31.7809 172.9002 28 P 4.4529 0.0000 0.0000 64.8932 31.8155 176.7783 29 I 4.2034 7.6603 118.4162 63.0141 38.6427 176.9507 30 E 3.8115 8.4860 117.9107 56.1409 27.6796 173.5872 31 W 4.9181 7.4544 113.0584 55.8553 33.3232 173.4728 32 F 4.9498 8.9292 123.1082 55.5574 42.8156 174.9922 33 H 4.7865 8.7252 118.7967 56.1288 29.6941 176.3201 34 Y 4.1271 8.5704 118.9617 61.1472 37.4927 178.9291 35 G 3.9670 8.1390 105.2957 47.5169 0.0000 175.2291 36 C 4.4143 8.1349 118.0135 62.5316 28.4629 175.5808 37 V 4.1810 7.8453 112.0210 60.9058 33.0232 175.8300 38 G 3.7929 8.4460 105.5891 46.0253 0.0000 173.9019 39 L 4.5686 8.5142 120.9270 51.9935 42.5120 177.5036 40 T 3.9338 8.0042 112.4027 64.4940 68.9184 174.6369 41 E 4.7666 7.8383 116.7194 54.3986 32.4909 174.5204 42 A 3.8464 8.8464 122.5892 52.0779 18.7051 175.8211 43 P 4.3552 0.0000 0.0000 62.3290 32.0004 176.2338 44 K 4.0505 9.0705 123.6967 59.2728 32.7625 177.0025 45 G 4.1048 7.6588 110.9234 45.3321 0.0000 172.5916 46 K 4.3495 8.5842 122.2548 55.5242 33.2940 176.3369 47 W 4.7020 8.6139 134.1061 55.6531 33.5572 173.4133 48 Y 4.4032 7.5157 124.1553 55.4779 40.0289 175.3519 49 C 2.6210 7.7021 119.1266 57.3269 29.6962 173.0915 50 P 4.2451 0.0000 0.0000 65.0294 29.8880 178.3156 51 Q 3.9929 7.6965 118.0540 58.4042 28.8653 177.4364 52 C 3.9897 7.6957 117.2808 62.7496 28.7942 175.6979 53 T 3.8281 7.4781 116.4687 66.9527 68.1066 176.3085 54 A 3.9454 7.5165 122.0583 54.8201 18.3831 179.6057 55 A 4.0289 7.3538 119.6359 55.5601 18.6344 179.7868 56 M 3.9735 8.4990 117.5387 58.3289 31.7103 179.1324 57 K 3.9122 7.6627 117.8085 59.5495 32.3003 179.2839 58 R 4.0566 7.3390 115.8052 59.3568 30.0733 179.0834 59 R 4.1799 7.8514 116.9863 57.0204 30.2590 179.4913 60 G 3.7130 8.4010 104.8066 44.5598 0.0000 176.3589 61 S 4.1991 8.8182 112.9096 59.2469 64.3670 174.3709 62 R 3.7563 8.5154 121.1740 57.8257 27.8472 177.6072 63 H 4.5069 7.9966 112.4645 54.6062 26.5715 172.9843 64 K 4.3381 7.8618 125.0015 55.2420 33.0702 174.7442 65 S 4.5448 8.3778 119.9464 55.7559 62.4535 173.5967 66 G 4.2250 7.8155 114.7248 42.6293 0.0000 168.7384 67 P 4.2574 0.0000 0.0000 62.7593 31.8572 176.3203 68 S 4.5585 8.4718 118.3773 57.4583 62.3688 173.6797 69 S 4.5373 8.5393 119.2820 57.0867 65.7867 174.5579 70 G 3.8168 9.0600 111.3783 45.7434 0.0000 173.5835 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 G 8.35 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 2 S 8.66 4.46 0.00 3.93 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 3 S 9.09 4.76 0.00 3.80 3.72 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 4 G 8.59 3.62 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 0.00 0.00 0.00 5 S 7.55 4.61 0.00 4.04 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 6 S 8.82 4.08 0.00 4.00 4.28 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 7 G 7.27 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 0.00 0.00 0.00 8 Y 8.11 4.26 0.00 2.97 2.82 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 9 C 8.05 4.00 0.00 2.55 2.63 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 10 I 8.30 3.95 2.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.82 1.28 0.00 0.00 11 C 8.12 4.39 0.00 3.18 3.15 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 0.00 0.00 0.00 0.00 12 N 8.38 4.22 0.00 2.82 2.93 0.00 0.00 6.66 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 13 Q 7.59 4.81 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.90 6.99 0.00 0.00 0.00 0.00 0.00 2.64 2.42 0.00 14 V 8.37 4.14 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 0.79 0.00 0.00 1.12 0.00 0.00 15 S 8.21 4.36 0.00 3.28 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.44 4.63 0.00 2.93 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 17 G 8.86 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.21 3.76 0.00 1.34 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 2.15 2.12 0.00 19 M 8.61 5.34 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.53 0.00 20 V 8.59 4.21 1.66 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 -0.34 0.00 0.00 0.36 0.00 0.00 21 G 8.17 3.74 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 0.00 0.00 0.00 22 C 8.79 4.22 0.00 3.22 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 23 D 7.83 4.11 0.00 2.15 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.94 4.64 0.00 3.00 2.79 0.00 0.00 7.27 7.15 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 25 Q 8.67 4.14 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 26 D 8.09 4.47 0.00 2.70 2.76 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 0.00 0.00 0.00 0.00 27 C 8.32 4.02 0.00 3.20 2.93 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 28 P 0.00 4.45 0.00 2.25 2.21 0.00 3.90 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 2.08 2.04 0.00 29 I 7.66 4.20 1.61 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.28 0.53 0.00 0.00 30 E 8.49 3.81 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.32 0.00 31 W 7.45 4.92 0.00 3.31 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 32 F 8.93 4.95 0.00 3.11 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 33 H 8.73 4.79 0.00 3.14 3.15 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 8.57 4.13 0.00 2.81 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 35 G 8.14 3.97 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 0.00 0.00 0.00 36 C 8.13 4.41 0.00 3.25 3.15 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 0.00 0.00 0.00 0.00 37 V 7.85 4.18 2.46 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 1.05 0.00 0.00 0.87 0.00 0.00 38 G 8.45 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.51 4.57 0.00 0.83 0.71 -0.61 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.00 3.93 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 41 E 7.84 4.77 0.00 2.06 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 2.21 2.40 0.00 42 A 8.85 3.85 1.33 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 0.00 0.00 0.00 43 P 0.00 4.36 0.00 2.25 2.08 0.00 3.64 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.75 0.00 44 K 9.07 4.05 0.00 1.76 1.94 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.52 7.81 45 G 7.66 4.10 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 0.00 0.00 0.00 46 K 8.58 4.35 0.00 1.80 1.81 0.00 1.89 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.46 7.81 47 W 8.61 4.70 0.00 3.28 2.86 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.52 4.40 0.00 2.44 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 C 7.70 2.62 0.00 1.41 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 0.00 0.00 0.00 0.00 50 P 0.00 4.25 0.00 2.24 2.26 0.00 3.13 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 51 Q 7.70 3.99 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.05 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 52 C 7.70 3.99 0.00 2.87 2.90 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 53 T 7.48 3.83 4.07 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 1.07 0.00 0.00 54 A 7.52 3.95 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.35 4.03 1.36 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 56 M 8.50 3.97 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.49 0.00 57 K 7.66 3.91 0.00 1.93 1.83 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.56 7.81 58 R 7.34 4.06 0.00 1.98 1.97 0.00 3.15 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 59 R 7.85 4.18 0.00 1.90 1.97 0.00 3.14 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 60 G 8.40 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.82 4.20 0.00 3.98 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.52 3.76 0.00 1.94 2.03 0.00 3.21 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 63 H 8.00 4.51 0.00 3.27 3.71 0.00 5.72 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.86 4.34 0.00 1.62 1.68 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.28 1.36 7.81 65 S 8.38 4.54 0.00 3.82 3.72 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 66 G 7.82 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 0.00 0.00 0.00 0.00 67 P 0.00 4.26 0.00 2.19 2.06 0.00 3.75 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 1.98 1.98 0.00 68 S 8.47 4.56 0.00 3.88 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 69 S 8.54 4.54 0.00 3.91 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 70 G 9.06 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