NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2A Q 4.1824 8.3449 118.8336 55.3249 30.2709 175.4733 3A R 3.7946 8.0098 117.1094 55.3406 28.5558 173.9211 4A G 3.7756 9.4689 105.6929 45.5172 0.0000 171.9361 5A Q 4.8339 8.1907 117.7575 53.8569 32.5673 174.6748 6A V 4.4101 7.8367 117.6450 61.3416 35.2368 174.7589 *12A R 4.3316 8.4210 123.0500 57.2422 31.0457 174.1637 13A T 3.3447 8.6560 116.9111 61.1488 69.4900 172.3636 14A S 4.2856 8.4598 117.1945 60.9940 63.2870 176.2959 15A R 4.1423 7.8513 119.4742 58.5806 29.8126 177.9837 16A Q 4.1543 7.7495 116.4017 58.4451 28.6781 178.7105 17A V 3.6598 7.6804 113.4992 64.2361 31.7079 178.3983 18A Q 4.4670 7.8291 118.7630 58.6597 28.1856 178.6389 19A I 3.7260 7.3832 119.4437 64.0772 37.0362 178.3261 20A L 3.8903 7.6866 121.2767 58.1346 41.6166 179.0558 21A Q 3.9372 8.0523 118.1253 58.9396 28.7272 178.3581 22A N 4.3154 8.0975 117.4308 56.1298 38.3571 177.4889 23A V 4.0258 7.3832 118.8515 65.5804 31.5000 177.2618 24A T 4.3543 7.5231 106.8924 62.2619 68.7674 175.0504 25A T 4.5049 7.3821 111.4125 62.3156 70.8831 175.1961 26A T 4.1087 7.8371 111.0919 63.5914 69.6124 175.1710 27A Y 4.2228 7.4223 118.4340 56.7556 38.3355 175.8007 28A K 4.3070 8.5659 121.7996 57.2385 31.9911 175.5621 29A I 5.1125 8.1200 124.1354 59.4118 41.7464 174.7667 30A V 4.5578 8.7056 124.8612 61.1689 34.0390 175.0524 31A L 4.7283 8.9015 127.5766 54.9369 42.4153 175.7799 32A W 4.8986 9.3717 119.3064 57.8503 30.3978 176.4489 33A Q 4.4858 8.0022 119.3983 53.8055 31.3083 172.9595 34A P 4.7708 0.0000 0.0000 62.1901 32.3870 176.5293 35A V 3.8513 8.4739 117.1285 63.4825 31.9266 176.2242 36A A 4.8048 7.9204 121.7926 49.9365 21.4043 176.3148 37A A 4.1025 8.5701 121.1367 52.9548 18.0302 178.1892 38A E 4.1787 7.6437 118.3749 57.1929 30.9936 175.4779 39A Y 4.7674 7.1350 114.0565 55.8174 41.2428 174.3553 *45A E 4.0710 8.2616 119.2617 56.4923 30.4978 176.4777 46A V 4.5815 7.9120 119.4709 60.7079 33.5047 174.1054 47A H 4.7769 8.4595 125.1797 54.8583 30.4796 174.5266 48A F 4.9516 7.1184 115.0658 55.7064 40.6897 173.2096 49A F 4.6384 9.1119 124.9421 57.8086 40.9016 174.2280 50A V 4.4447 7.3923 125.0534 60.5390 34.4536 174.4640 51A N 4.3480 8.1259 125.9612 53.0126 39.6667 175.3053 52A A 3.8972 8.9093 127.8101 55.6428 18.3984 179.4217 53A S 4.4470 8.0012 107.0726 59.9436 63.2311 174.0905 54A D 4.8857 8.4208 119.7377 53.2740 42.7372 177.7542 55A V 3.4805 7.6887 114.1445 64.4461 31.2916 178.1849 56A S 4.2475 7.8812 113.7214 60.6699 62.5469 176.0964 57A N 4.3781 7.9833 118.9430 55.7733 38.5665 177.2421 58A V 2.7606 7.8161 119.9389 65.0822 31.5650 178.1380 59A K 3.7444 7.6270 117.8842 58.6754 32.0059 179.0175 60A A 4.0115 7.6659 121.2255 54.7512 18.0847 178.7879 61A H 4.4363 7.4544 115.7288 58.5565 29.8007 176.8619 62A L 3.9699 7.5598 122.2675 57.7828 41.6311 178.4758 63A N 4.3346 8.0289 115.9612 56.6060 39.1593 176.2886 64A A 4.2585 7.6989 118.1656 53.1712 18.5428 177.9749 65A S 4.5165 7.3591 110.3129 58.1739 64.0507 174.0311 *67A I 3.8070 7.2377 120.9721 60.1786 37.5058 173.3797 68A P 4.4944 0.0000 0.0000 62.8994 31.4518 175.6854 69A F 5.0954 8.4054 123.7121 56.2766 38.5509 175.2112 70A R 3.7405 7.9946 116.5170 55.4953 30.6694 174.2821 71A V 3.7838 8.0524 119.8763 62.5783 31.5598 175.8750 72A L 4.2115 8.1172 128.2336 57.1262 42.0501 177.6402 73A V 4.2629 7.3375 114.9248 64.0966 35.8650 175.6891 74A E 3.6408 7.9490 118.8707 56.3236 29.7034 173.5216 75A N 4.0884 8.3273 107.4146 54.2612 35.8381 174.5136 76A V 3.7349 8.1715 124.9037 66.7843 32.4179 176.6735 77A E 3.9735 8.3458 118.4193 59.2824 29.2663 178.5674 78A D 4.3504 8.0314 118.5840 57.4309 41.1926 178.4887 79A L 4.0739 7.4841 119.1318 57.6221 41.6478 179.5801 80A I 3.8105 8.0280 113.3232 63.8404 37.4482 178.3382 81A R 3.9197 7.7149 119.2988 59.2755 29.9915 178.2318 82A Q 4.1342 7.9723 117.1404 58.7916 28.8015 178.0686 83A Q 4.2596 7.8866 117.2299 57.5847 29.0204 177.0023 84A T 4.4124 7.6145 113.1184 61.0032 67.5651 173.8423 85A S 4.5470 7.3136 113.6292 56.6115 65.3667 172.8721 *90A S 4.3259 8.0710 116.0742 57.3828 64.8213 173.4274 91A P 4.2984 0.0000 0.0000 63.1174 30.0309 176.9207 92A R 4.1041 8.7810 125.9484 57.7997 30.0919 172.9187 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 2A Q 8.34 4.18 0.00 2.25 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 5.70 0.00 0.00 0.00 0.00 0.00 2.23 2.45 0.00 3A R 8.01 3.79 0.00 2.19 2.17 0.00 3.21 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 4A G 9.47 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5A Q 8.19 4.83 0.00 1.83 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.64 0.00 0.00 0.00 0.00 0.00 2.23 2.18 0.00 6A V 7.84 4.41 1.93 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 -0.02 0.00 0.00 1.16 0.00 0.00 *12A R 8.42 4.33 0.00 1.77 1.90 0.00 3.43 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 13A T 8.66 3.34 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 1.21 0.00 0.00 14A S 8.46 4.29 0.00 3.88 3.96 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 15A R 7.85 4.14 0.00 1.87 1.90 0.00 3.17 0.00 0.00 3.33 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 16A Q 7.75 4.15 0.00 2.42 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 17A V 7.68 3.66 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 0.85 0.00 0.00 1.00 0.00 0.00 18A Q 7.83 4.47 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.29 0.00 19A I 7.38 3.73 1.81 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 1.38 1.25 0.80 0.00 0.00 20A L 7.69 3.89 0.00 1.84 1.71 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 21A Q 8.05 3.94 0.00 2.25 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 22A N 8.10 4.32 0.00 2.99 2.86 0.00 0.00 6.63 7.57 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 23A V 7.38 4.03 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 0.91 0.00 0.00 1.01 0.00 0.00 24A T 7.52 4.35 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 0.74 0.00 0.00 25A T 7.38 4.50 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 1.26 0.00 0.00 26A T 7.84 4.11 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 27A Y 7.42 4.22 0.00 3.07 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 28A K 8.57 4.31 0.00 1.74 1.86 0.00 1.66 0.00 0.00 1.85 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.74 1.47 7.81 29A I 8.12 5.11 1.91 0.00 0.00 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 1.28 0.71 1.07 0.00 0.00 30A V 8.71 4.56 2.40 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 1.15 0.00 0.00 1.10 0.00 0.00 31A L 8.90 4.73 0.00 1.86 1.75 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 32A W 9.37 4.90 0.00 3.37 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 33A Q 8.00 4.49 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.89 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 34A P 0.00 4.77 0.00 2.37 2.17 0.00 3.88 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 2.08 2.20 0.00 35A V 8.47 3.85 2.16 0.00 0.00 0.00 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 1.01 0.00 0.00 36A A 7.92 4.80 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37A A 8.57 4.10 1.22 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 38A E 7.64 4.18 0.00 1.16 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 2.00 2.05 0.00 39A Y 7.14 4.77 0.00 2.97 2.85 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 *45A E 8.26 4.07 0.00 1.97 1.87 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 2.25 2.34 0.00 46A V 7.91 4.58 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 1.23 0.00 0.00 0.95 0.00 0.00 47A H 8.46 4.78 0.00 3.22 2.75 0.00 5.71 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48A F 7.12 4.95 0.00 2.97 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 49A F 9.11 4.64 0.00 3.52 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 50A V 7.39 4.44 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.99 0.00 0.00 51A N 8.13 4.35 0.00 2.82 2.67 0.00 0.00 6.70 8.22 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 52A A 8.91 3.90 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 53A S 8.00 4.45 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 54A D 8.42 4.89 0.00 2.72 2.67 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 55A V 7.69 3.48 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 0.77 0.00 0.00 0.94 0.00 0.00 56A S 7.88 4.25 0.00 3.84 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 57A N 7.98 4.38 0.00 2.98 3.01 0.00 0.00 6.81 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58A V 7.82 2.76 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.23 0.00 0.00 59A K 7.63 3.74 0.00 1.76 1.69 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.00 1.43 7.81 60A A 7.67 4.01 1.35 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 0.00 0.00 61A H 7.45 4.44 0.00 2.95 3.24 0.00 5.95 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62A L 7.56 3.97 0.00 1.56 1.59 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 63A N 8.03 4.33 0.00 2.94 2.82 0.00 0.00 7.23 7.50 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 64A A 7.70 4.26 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 0.00 0.00 0.00 0.00 0.00 65A S 7.36 4.52 0.00 3.94 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 *67A I 7.24 3.81 1.99 0.00 0.00 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 1.41 0.65 0.95 0.00 0.00 68A P 0.00 4.49 0.00 2.07 2.05 0.00 3.67 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 2.05 2.10 0.00 69A F 8.41 5.10 0.00 3.10 2.80 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 70A R 7.99 3.74 0.00 1.76 1.71 0.00 2.96 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.33 0.00 71A V 8.05 3.78 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 0.90 0.00 0.00 0.89 0.00 0.00 72A L 8.12 4.21 0.00 1.75 1.58 0.62 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 73A V 7.34 4.26 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 0.83 0.00 0.00 1.05 0.00 0.00 74A E 7.95 3.64 0.00 2.11 1.97 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 2.18 2.34 0.00 75A N 8.33 4.09 0.00 3.20 3.08 0.00 0.00 5.62 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76A V 8.17 3.73 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.32 0.00 0.00 77A E 8.35 3.97 0.00 2.21 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 2.41 2.44 0.00 78A D 8.03 4.35 0.00 2.95 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 79A L 7.48 4.07 0.00 2.03 1.74 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 80A I 8.03 3.81 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.74 0.93 0.00 0.00 81A R 7.71 3.92 0.00 1.97 2.05 0.00 3.27 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 82A Q 7.97 4.13 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 83A Q 7.89 4.26 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.21 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 84A T 7.61 4.41 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 1.25 0.00 0.00 85A S 7.31 4.55 0.00 4.00 3.96 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 *90A S 8.07 4.33 0.00 3.90 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 91A P 0.00 4.30 0.00 2.03 1.84 0.00 3.73 0.00 0.00 3.58 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 92A R 8.78 4.10 0.00 1.69 1.72 0.00 3.31 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.51 0.00 * Residues marked with a * may have inaccurate shift predictions.