NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.7489 8.3193 115.3326 57.9586 64.8004 170.8443 2 W 4.2607 8.7624 128.3027 56.7109 31.5073 176.1714 3 D 4.6415 8.0797 110.2112 51.4979 46.3872 177.6183 4 V 4.1244 8.1147 117.5418 62.1584 36.6278 174.0628 5 I 4.4011 8.7318 135.0000 62.0939 37.7902 173.9955 6 K 4.5270 8.9064 126.9464 57.8326 33.5198 177.0396 7 H 4.7961 5.2900 116.7652 54.6168 32.8831 172.5777 8 P 4.5505 0.0000 0.0000 61.7263 30.8292 174.3902 9 H 4.1915 7.9827 120.6791 56.7742 29.2969 175.0070 10 V 4.2484 7.9763 122.4456 61.1804 34.0360 174.2263 11 T 4.0544 8.3828 118.9131 62.0843 69.2892 172.9287 12 E 3.7050 8.0962 121.4747 59.4702 30.0268 179.8458 13 K 4.3720 8.8080 117.1583 57.5241 31.5343 180.9187 14 A 4.0046 7.4608 122.9499 56.4532 21.1835 180.5560 15 M 3.6666 8.8074 116.1381 58.1628 32.4987 179.0220 16 N 4.1251 9.8147 116.7620 55.1747 37.7559 176.6202 17 D 5.3326 9.3614 122.5083 57.6437 40.9045 178.2897 18 M 4.5292 7.6489 120.2312 56.1046 32.3888 178.3292 19 D 4.4704 7.5832 116.5167 53.8859 41.3573 180.3463 20 F 3.2744 12.0000 108.0772 58.4727 40.7503 176.7239 *22 N 4.6499 7.3278 117.0347 53.3174 40.4607 174.3976 23 K 4.4519 8.4857 117.0458 57.9863 31.2788 174.6272 24 L 4.6307 7.8375 121.5665 55.7584 44.7116 173.0820 25 Q 5.9288 7.2547 122.8344 53.9945 31.5770 174.7328 26 F 5.0891 8.7765 119.3562 56.6989 44.1255 172.6800 27 A 4.7927 8.2014 121.5277 51.4586 19.5665 177.2591 28 V 4.0431 9.6544 118.0321 61.7934 32.5904 178.3785 29 D 4.1346 7.9614 126.3826 56.7501 42.9168 176.0331 30 D 5.0863 9.0410 121.3710 54.0855 37.9057 176.2148 31 R 4.1052 8.1519 115.4861 56.4638 29.3803 177.1698 32 A 3.3794 7.9883 119.1952 54.1395 17.4739 175.8019 33 S 4.7577 7.3888 117.6835 57.1992 65.4285 174.9472 34 K 4.4539 7.5967 116.2868 58.6464 32.9051 178.3105 35 G 4.5724 8.2419 102.0498 46.5813 0.0000 177.0806 36 E 3.7678 8.1413 120.6550 58.3635 32.5701 178.4954 37 V 3.3524 10.4205 117.5407 63.5274 30.7017 179.2371 38 A 2.9477 6.5579 117.1089 51.3579 22.3573 181.5169 39 D 4.5906 7.0529 103.9300 53.9344 43.2688 183.4308 40 A 3.1266 8.2887 127.5301 53.0020 20.4879 179.4034 41 V 3.1437 7.0182 114.0133 65.3697 32.1085 178.0928 42 E 3.7016 9.7082 118.2504 59.9949 29.9090 179.2881 43 E 4.0469 8.0990 117.2326 60.0218 29.6195 178.8841 44 Q 4.2115 8.4906 118.3550 57.6392 28.9110 175.2195 45 Y 4.1840 9.4391 124.3342 57.6319 40.0340 177.2345 46 D 3.5420 8.2011 121.5989 53.7704 42.2084 177.5589 47 V 3.6142 8.0858 113.9267 60.4462 34.5860 176.9803 48 T 4.4523 7.9643 115.4936 61.7916 69.5644 176.6579 49 V 3.9159 7.4985 115.1404 61.6022 29.6089 176.4037 50 E 4.0388 7.7770 122.4717 57.6326 30.5765 180.3023 51 Q 4.3647 7.1397 123.0008 57.2205 34.9022 173.8261 52 V 5.1800 7.5530 126.2578 64.2396 34.1962 170.4983 53 N 5.3005 7.8384 120.6127 52.1777 43.5060 172.8432 54 T 5.0749 8.0437 108.2880 60.6074 72.1288 172.8153 55 Q 4.4638 8.5112 122.1409 57.5713 33.4436 174.2561 56 N 4.7912 9.2276 119.7008 52.6215 39.1043 176.0503 57 T 3.3535 9.1675 110.4818 61.0723 68.4719 171.7160 58 M 4.3489 8.3208 121.7764 55.1984 31.9700 175.7431 59 D 4.8912 8.7270 133.3750 55.6182 39.6043 176.2829 60 G 3.5947 8.1598 113.1652 44.7829 0.0000 173.6882 61 E 4.2736 7.2612 117.8435 55.0665 30.5286 175.5402 62 K 4.6090 8.3775 120.8248 54.6326 34.8312 174.8185 63 K 4.7675 10.7800 127.4399 55.8297 33.4795 176.0550 64 A 5.1920 8.7053 125.1638 50.5385 23.3920 174.9050 65 V 5.8423 8.4076 117.9535 60.6885 35.7148 174.4717 66 V 4.8536 8.8585 126.5778 59.5832 33.5060 174.5801 67 R 4.2488 8.6770 128.1138 56.5224 30.6093 176.1297 68 L 4.2676 8.4689 123.9315 54.4671 42.3641 176.5929 69 S 4.5087 8.6681 114.9206 58.3534 62.1459 175.0597 70 E 4.0767 8.3704 115.1800 56.7024 27.9305 173.8116 71 D 4.8886 7.2537 118.0162 54.4888 41.0545 178.0238 72 D 4.8736 8.5847 118.8153 52.3864 41.0740 173.8790 73 D 5.0117 8.2785 119.1069 56.0350 46.5987 175.6086 *75 Q 4.0878 7.8937 117.1428 57.5879 28.5638 178.5815 76 E 2.7925 7.3089 116.5434 56.9585 33.6929 177.2215 77 V 3.6787 7.8253 123.4415 64.5652 30.4164 176.0338 78 A 4.6103 7.5686 125.6772 51.6975 18.5676 176.8216 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 8.32 4.75 0.00 3.93 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 2 W 8.76 4.26 0.00 3.65 2.03 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.08 4.64 0.00 1.82 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 4 V 8.11 4.12 2.01 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 0.65 0.00 0.00 0.86 0.00 0.00 5 I 8.73 4.40 1.78 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.37 0.81 0.00 0.00 6 K 8.91 4.53 0.00 1.56 1.57 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.26 1.38 7.81 7 H 5.29 4.80 0.00 3.30 3.39 0.00 5.50 0.00 0.00 0.00 0.00 6.54 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 4.55 0.00 2.05 2.16 0.00 4.08 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 1.99 2.03 0.00 9 H 7.98 4.19 0.00 3.06 3.25 0.00 5.61 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.98 4.25 2.07 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 0.76 0.00 0.00 0.97 0.00 0.00 11 T 8.38 4.05 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 12 E 8.10 3.70 0.00 1.99 1.90 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 2.32 2.45 0.00 13 K 8.81 4.37 0.00 1.87 1.77 0.00 1.86 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.49 7.81 14 A 7.46 4.00 1.24 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 15 M 8.81 3.67 0.00 1.90 2.23 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.40 2.47 0.00 16 N 9.81 4.13 0.00 3.54 3.19 0.00 0.00 7.15 7.95 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 17 D 9.36 5.33 0.00 2.80 2.87 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 18 M 7.65 4.53 0.00 1.74 1.92 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 19 D 7.58 4.47 0.00 2.31 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 20 F 12.00 3.27 0.00 3.20 3.28 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 *22 N 7.33 4.65 0.00 3.03 2.97 0.00 0.00 7.09 7.21 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 23 K 8.49 4.45 0.00 1.93 1.78 0.00 1.96 0.00 0.00 2.41 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.49 7.81 24 L 7.84 4.63 0.00 2.47 1.73 1.05 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 7.25 5.93 0.00 1.81 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.60 0.00 0.00 0.00 0.00 0.00 2.40 2.16 0.00 26 F 8.78 5.09 0.00 2.82 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 27 A 8.20 4.79 0.81 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 28 V 9.65 4.04 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 0.65 0.00 0.00 0.97 0.00 0.00 29 D 7.96 4.13 0.00 2.58 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.04 5.09 0.00 2.81 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 31 R 8.15 4.11 0.00 1.91 1.89 0.00 3.29 0.00 0.00 3.23 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 32 A 7.99 3.38 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 33 S 7.39 4.76 0.00 3.80 3.69 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 34 K 7.60 4.45 0.00 1.83 1.69 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.51 1.43 7.81 35 G 8.24 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.14 3.77 0.00 2.09 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 0.00 2.24 2.33 0.00 37 V 10.42 3.35 2.18 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 0.67 0.00 0.00 0.88 0.00 0.00 38 A 6.56 2.95 1.31 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 0.00 0.00 39 D 7.05 4.59 0.00 3.04 1.91 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 40 A 8.29 3.13 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.02 3.14 2.19 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 0.86 0.00 0.00 0.71 0.00 0.00 42 E 9.71 3.70 0.00 2.04 1.88 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 2.32 2.37 0.00 43 E 8.10 4.05 0.00 2.09 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 2.40 2.44 0.00 44 Q 8.49 4.21 0.00 2.01 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.60 0.00 45 Y 9.44 4.18 0.00 3.00 2.87 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 46 D 8.20 3.54 0.00 2.65 2.44 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 47 V 8.09 3.61 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 0.77 0.00 0.00 1.13 0.00 0.00 48 T 7.96 4.45 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 49 V 7.50 3.92 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 0.77 0.00 0.00 0.91 0.00 0.00 50 E 7.78 4.04 0.00 2.05 1.92 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 2.27 2.37 0.00 51 Q 7.14 4.36 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.15 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 52 V 7.55 5.18 2.06 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 0.88 0.00 0.00 0.90 0.00 0.00 53 N 7.84 5.30 0.00 2.67 2.67 0.00 0.00 6.31 7.05 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 54 T 8.04 5.07 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 1.20 0.00 0.00 55 Q 8.51 4.46 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.52 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 56 N 9.23 4.79 0.00 2.70 2.34 0.00 0.00 7.17 7.54 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 57 T 9.17 3.35 4.55 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 0.00 0.00 0.00 1.20 0.00 0.00 58 M 8.32 4.35 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.58 0.00 59 D 8.73 4.89 0.00 2.79 2.77 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 60 G 8.16 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.26 4.27 0.00 2.30 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.25 0.00 62 K 8.38 4.61 0.00 1.73 2.18 0.00 1.63 0.00 0.00 2.02 0.00 0.00 3.35 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.43 7.81 63 K 10.78 4.77 0.00 1.78 1.71 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.74 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.32 1.32 7.81 64 A 8.71 5.19 1.17 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 0.00 0.00 65 V 8.41 5.84 2.14 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 0.94 0.00 0.00 1.07 0.00 0.00 66 V 8.86 4.85 2.07 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 1.01 0.00 0.00 0.75 0.00 0.00 67 R 8.68 4.25 0.00 1.89 1.85 0.00 3.31 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 68 L 8.47 4.27 0.00 1.62 1.64 1.12 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.67 4.51 0.00 4.31 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 70 E 8.37 4.08 0.00 2.19 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 0.00 2.22 2.30 0.00 71 D 7.25 4.89 0.00 2.81 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.58 4.87 0.00 2.87 2.70 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 73 D 8.28 5.01 0.00 2.69 2.65 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 *75 Q 7.89 4.09 0.00 2.85 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.35 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 76 E 7.31 2.79 0.00 1.97 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 0.00 2.18 2.21 0.00 77 V 7.83 3.68 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 0.82 0.00 0.00 0.91 0.00 0.00 78 A 7.57 4.61 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.