NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 V 4.0894 8.0393 120.3112 61.7323 32.7520 174.0956 13 T 4.6252 8.2849 111.9031 59.7944 70.6653 172.1058 14 L 4.9318 9.4350 125.2659 53.2068 46.4169 176.5270 15 T 5.0721 8.3738 116.0714 62.0020 71.4910 173.6255 16 I 4.6078 8.9873 127.3813 59.4123 40.6486 174.7330 17 R 5.0625 8.6028 124.4819 54.4830 32.5509 174.9872 18 L 4.7264 9.0354 124.6041 53.3225 43.8998 175.9831 19 L 5.3057 8.2246 121.9537 52.9125 44.0772 175.7370 *21 H 5.0260 7.9495 116.4093 55.5299 30.2236 174.8368 22 G 3.7310 8.7334 108.7965 47.9275 0.0000 175.7032 23 K 3.8797 8.1005 121.3545 59.6104 32.2057 178.5208 24 E 3.9917 8.1434 118.1129 59.3075 29.4138 179.2701 25 V 3.6805 7.9753 118.5198 65.9266 31.4671 178.1107 26 G 3.7356 8.1776 105.4350 48.1032 0.0000 175.5639 27 S 4.1069 7.4559 113.4477 61.0393 62.4690 176.0261 28 I 3.8522 7.5053 121.7736 64.2555 37.2603 178.2635 29 I 3.8283 8.1544 121.1766 63.5872 37.2115 177.8749 30 G 4.3293 8.0600 104.0603 44.6712 0.0000 172.7743 31 K 4.1270 8.3507 118.0221 57.8029 32.2846 177.6443 32 K 3.5574 9.6557 121.3116 57.1776 29.8755 175.9514 33 G 3.9480 8.2821 104.8352 46.6116 0.0000 176.1189 34 E 3.9337 8.1842 121.9144 59.2493 29.0856 179.4366 35 S 4.0540 7.8707 111.8078 61.4532 62.7813 176.1425 36 V 3.7322 7.4124 120.0023 64.4061 31.3522 177.7003 37 K 4.0478 8.1653 120.4212 59.2281 31.9723 179.8996 38 K 3.9624 7.6654 116.7155 57.0955 30.9402 178.3997 *40 R 4.2943 7.9879 118.5260 55.8457 32.1106 177.9127 41 E 4.0818 8.4164 116.6414 58.8116 29.4849 177.7362 42 E 4.4762 7.9307 114.6489 56.8019 30.5419 177.4002 43 S 4.1366 8.0728 114.8146 59.3103 63.4222 176.0195 44 G 3.9104 7.6012 103.9566 45.2502 0.0000 172.8204 45 A 4.7856 7.7708 121.1573 50.3671 20.9407 177.4995 46 R 4.1608 8.8467 120.3056 56.0983 31.3703 175.7710 47 I 4.9486 8.4096 124.4978 59.4511 39.8884 174.3714 48 N 5.0600 9.2066 125.7128 51.7044 42.0428 172.8141 49 I 4.9879 8.2240 126.1459 59.0657 39.4377 175.7057 50 S 4.3083 8.8989 122.6080 58.6384 63.4191 174.3419 51 E 4.1779 8.6697 121.1377 56.7823 30.4413 177.7165 52 G 3.8775 8.7295 107.3545 44.8734 0.0000 173.1976 53 N 5.0601 8.1938 115.8883 52.6846 39.6923 174.6097 54 C 4.1669 8.2966 115.0204 59.5282 28.9017 172.3643 55 P 4.3669 0.0000 0.0000 65.1030 31.1734 175.9301 56 E 4.8379 8.0481 116.2418 54.5618 31.7565 176.2800 57 R 4.6482 8.5795 122.7568 54.8332 33.4926 174.9180 58 I 4.7153 8.6963 121.8596 59.7375 40.0622 174.7722 59 I 4.8018 8.8622 128.5541 60.0723 39.1793 174.6700 60 T 4.9537 9.2783 125.2394 62.0548 70.6057 173.8694 61 L 5.2155 9.2441 126.1387 52.9015 44.5821 175.4192 62 A 5.0373 9.9749 125.3686 50.2497 22.8459 176.4962 63 G 3.6630 7.9925 107.5218 44.1615 0.0000 171.2567 64 P 4.8488 0.0000 0.0000 62.3490 33.3156 177.2209 65 T 3.9355 8.5411 111.2746 65.3481 68.4492 176.3039 66 N 4.3773 8.1909 118.4241 56.0511 38.5967 177.0817 67 A 4.2823 7.8645 123.0464 54.6158 18.5236 179.5151 68 I 3.6810 7.8780 118.3738 64.5622 37.2073 178.3950 69 F 3.9683 8.6271 121.8105 61.0875 38.9707 177.0379 70 K 3.9901 8.1499 117.9896 59.4461 32.1107 178.2809 71 A 4.1249 7.9431 119.8405 55.1511 18.5554 178.9863 72 F 4.1494 8.4956 119.2199 61.1638 39.3834 178.2553 73 A 4.0315 8.0456 119.1824 52.3015 18.1967 179.3882 *75 I 3.9056 7.7286 122.5016 63.0867 39.5122 178.2981 76 I 3.4429 7.4033 120.9286 64.4731 36.5692 178.0891 77 D 4.3164 7.7999 118.3740 57.3143 41.0562 178.6222 78 K 4.0476 7.7517 119.4551 59.5211 32.1077 178.7620 79 L 4.0462 7.8470 118.0242 57.0339 41.5204 178.2736 80 E 4.4157 7.4648 115.8951 55.1401 30.1034 176.1992 81 E 3.9816 7.3550 119.5695 57.2154 30.2081 176.7689 82 D 4.7222 8.6415 120.4664 54.0120 40.6920 173.4704 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 12 V 8.04 4.09 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 0.93 0.00 0.00 0.93 0.00 0.00 13 T 8.28 4.63 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 14 L 9.43 4.93 0.00 1.57 1.57 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.37 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 1.22 0.00 0.00 16 I 8.99 4.61 1.87 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 1.22 0.97 0.90 0.00 0.00 17 R 8.60 5.06 0.00 1.65 1.82 0.00 3.19 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 18 L 9.04 4.73 0.00 1.59 1.61 1.01 0.49 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 19 L 8.22 5.31 0.00 1.51 1.55 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 *21 H 7.95 5.03 0.00 3.48 3.23 0.00 5.91 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.73 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 3.88 0.00 1.80 1.83 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.48 7.81 24 E 8.14 3.99 0.00 2.24 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 2.39 2.41 0.00 25 V 7.98 3.68 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 0.98 0.00 0.00 0.99 0.00 0.00 26 G 8.18 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 27 S 7.46 4.11 0.00 3.89 4.03 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 28 I 7.51 3.85 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.67 0.88 0.00 0.00 29 I 8.15 3.83 1.86 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 1.45 1.15 0.90 0.00 0.00 30 G 8.06 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 0.00 0.00 0.00 0.00 31 K 8.35 4.13 0.00 1.79 1.76 0.00 1.83 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.41 7.81 32 K 9.66 3.56 0.00 1.86 1.87 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.47 7.81 33 G 8.28 3.95 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 0.00 0.00 0.00 34 E 8.18 3.93 0.00 2.10 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 2.33 2.37 0.00 35 S 7.87 4.05 0.00 3.85 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 36 V 7.41 3.73 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 0.81 0.00 0.00 0.93 0.00 0.00 37 K 8.17 4.05 0.00 1.93 2.09 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.46 7.81 38 K 7.67 3.96 0.00 1.89 1.95 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.48 7.81 *40 R 7.99 4.29 0.00 2.08 2.00 0.00 3.18 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 41 E 8.42 4.08 0.00 2.10 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 0.00 2.35 2.46 0.00 42 E 7.93 4.48 0.00 2.09 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 0.00 2.52 2.23 0.00 43 S 8.07 4.14 0.00 4.13 4.17 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 44 G 7.60 3.91 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 0.00 0.00 0.00 45 A 7.77 4.79 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.85 4.16 0.00 1.82 1.88 0.00 3.12 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 47 I 8.41 4.95 1.87 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 1.24 0.79 0.91 0.00 0.00 48 N 9.21 5.06 0.00 2.72 2.61 0.00 0.00 6.58 7.86 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 49 I 8.22 4.99 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.77 0.91 0.00 0.00 50 S 8.90 4.31 0.00 3.85 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 51 E 8.67 4.18 0.00 1.98 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 2.31 2.25 0.00 52 G 8.73 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 0.00 0.00 0.00 53 N 8.19 5.06 0.00 2.67 2.78 0.00 0.00 6.78 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 54 C 8.30 4.17 0.00 3.08 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 55 P 0.00 4.37 0.00 2.19 2.13 0.00 3.54 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 2.13 2.14 0.00 56 E 8.05 4.84 0.00 1.82 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 0.00 2.14 2.36 0.00 57 R 8.58 4.65 0.00 1.72 1.82 0.00 3.24 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.59 0.00 58 I 8.70 4.72 1.87 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 1.23 0.83 0.92 0.00 0.00 59 I 8.86 4.80 1.88 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 1.22 0.73 0.92 0.00 0.00 60 T 9.28 4.95 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 1.27 0.00 0.00 61 L 9.24 5.22 0.00 1.54 1.58 1.04 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 62 A 9.97 5.04 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 63 G 7.99 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 64 P 0.00 4.85 0.00 2.19 1.99 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 65 T 8.54 3.94 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 1.21 0.00 0.00 66 N 8.19 4.38 0.00 2.78 2.94 0.00 0.00 7.05 7.35 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 67 A 7.86 4.28 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.88 3.68 2.06 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 1.43 0.72 0.93 0.00 0.00 69 F 8.63 3.97 0.00 3.17 3.23 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 0.00 70 K 8.15 3.99 0.00 2.09 2.02 0.00 2.07 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.52 7.81 71 A 7.94 4.12 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.50 4.15 0.00 3.07 2.92 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 0.00 0.00 0.00 73 A 8.05 4.03 1.27 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 0.00 0.00 0.00 *75 I 7.73 3.91 1.74 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 1.33 0.69 0.71 0.00 0.00 76 I 7.40 3.44 1.72 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.89 0.78 0.00 0.00 77 D 7.80 4.32 0.00 2.62 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 78 K 7.75 4.05 0.00 1.81 1.93 0.00 1.58 0.00 0.00 1.97 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.55 7.81 79 L 7.85 4.05 0.00 1.75 1.66 0.81 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 80 E 7.46 4.42 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 81 E 7.35 3.98 0.00 2.08 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 2.32 2.50 0.00 82 D 8.64 4.72 0.00 2.90 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 * Residues marked with a * may have inaccurate shift predictions.