NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *20 M 4.4208 8.3044 118.7933 53.8774 33.4370 175.7076 21 K 3.6275 8.3294 122.0884 55.1896 32.4994 174.8174 22 T 4.4072 8.8471 115.3042 60.9780 71.0195 172.6040 23 E 5.1304 6.9513 120.1198 54.9524 34.1655 175.2099 24 W 5.1657 9.3214 119.6242 53.2028 29.7282 174.6916 25 P 4.3939 0.0000 0.0000 65.3788 31.7796 179.1251 26 E 4.1905 8.2876 116.2163 58.1010 29.9311 177.8999 27 L 4.4330 8.1539 119.3984 55.2714 42.3546 176.8315 28 V 3.8774 7.3755 119.4271 64.2567 31.6923 176.2690 29 G 3.9775 9.1674 116.1972 45.3160 0.0000 173.6862 30 K 4.3673 7.8142 119.6714 55.0361 33.4485 176.5173 31 S 4.7507 8.5141 116.7734 57.8780 64.7708 175.6641 32 V 3.6036 8.3771 123.7369 64.9989 30.9981 178.6728 33 E 3.8795 8.0291 118.7519 59.2661 29.3465 178.7260 34 E 3.8912 8.3218 119.1434 58.9898 29.5896 178.5211 35 A 3.8723 8.0552 120.8837 55.1194 18.3993 179.5665 36 K 3.6715 8.1326 117.1394 59.5195 32.2628 179.3751 37 K 3.8415 7.8757 119.6115 59.4677 32.2302 179.0041 38 V 3.5708 7.9292 118.6375 66.0884 31.4060 178.0375 39 I 3.1952 7.6439 119.7698 64.2546 36.7366 178.5120 40 L 4.1340 8.0026 119.5646 57.4999 41.1061 179.6218 41 Q 4.0243 7.6646 117.5666 58.9914 28.7379 177.8774 42 D 4.7698 8.0114 118.5594 55.6991 42.5722 177.0536 43 K 4.6929 8.3734 120.3789 54.1285 32.4847 174.5221 44 P 4.5480 0.0000 0.0000 63.9574 31.8948 177.2512 45 A 4.4412 7.8632 118.9926 51.6412 18.9803 176.7278 46 A 4.2441 7.8473 119.8004 53.1412 19.3268 178.2950 47 Q 4.3078 9.3640 121.6222 54.8027 29.8797 174.6707 48 I 4.7133 8.1009 125.4803 59.7272 38.8497 175.3104 49 I 4.4292 8.2773 126.9964 59.0459 41.0184 173.9618 50 V 4.5232 8.2928 129.1093 61.7277 32.5192 174.8234 51 L 4.8961 8.5592 126.9819 52.0789 46.5768 174.1568 52 P 4.9358 0.0000 0.0000 62.1343 32.4830 176.7768 53 V 3.9512 8.7119 124.4722 63.1968 31.8270 176.4971 54 G 3.8332 8.7979 109.6599 46.0740 0.0000 173.2975 55 T 4.5084 7.2031 108.2311 60.0073 70.7359 173.8861 56 I 4.4625 7.9658 122.2838 59.9111 38.9219 175.6643 57 V 4.6578 7.9002 115.8131 59.2241 35.6621 175.5329 58 T 4.1061 8.4305 111.2393 62.2190 69.0069 174.3286 59 K 4.6818 8.3259 121.8752 56.0230 32.9676 176.4845 60 E 4.3208 8.1459 115.6964 55.8727 30.8531 174.9122 61 Y 4.6781 8.4737 121.2185 55.9850 40.1927 175.1987 62 R 4.3460 8.1049 127.2476 54.0415 31.6457 176.6486 63 I 3.4610 8.1416 124.3641 63.2114 38.3854 176.2578 64 D 4.5567 7.9157 118.2475 53.8105 40.2668 175.3001 65 R 4.9291 7.7011 121.7501 54.8288 32.5598 175.1160 66 V 4.5835 8.4594 124.8719 61.1262 34.2964 174.4983 67 R 4.5166 8.6473 127.4704 55.6527 31.2624 176.0503 68 L 4.5448 8.6392 123.8767 53.0352 44.2373 175.4225 69 F 5.0705 8.7427 123.5090 56.3251 40.6133 175.4121 70 V 5.0558 8.6893 117.7277 59.4118 35.0395 176.0318 71 D 4.8210 8.7918 124.0528 52.3515 40.6681 177.1213 72 R 4.1051 8.3936 114.3965 58.1114 29.4854 177.0622 73 L 4.2921 7.9963 117.7832 54.5879 42.2340 176.2851 74 D 4.5260 8.1638 118.2946 55.4454 38.6007 173.2124 75 N 5.3301 8.0021 115.0796 51.3472 40.8197 174.6590 76 I 4.0022 8.7467 122.6533 61.5799 37.5321 176.7758 77 A 4.6993 8.9482 127.1986 52.1009 20.3696 176.1351 78 Q 4.5800 7.7005 112.9479 53.5424 32.9125 174.6239 79 V 3.8090 8.3842 120.8377 62.6902 32.0881 174.0547 80 P 4.8012 0.0000 0.0000 62.8400 32.3961 175.5906 81 R 5.4142 8.5317 118.7550 54.4155 32.7521 174.8619 82 V 3.9592 8.9405 121.6609 62.6298 32.5233 176.3437 83 G 3.1193 8.5710 115.4135 45.2981 0.0000 172.7036 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 *20 M 8.30 4.42 0.00 1.77 1.91 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 21 K 8.33 3.63 0.00 1.63 1.56 0.00 1.47 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.30 0.90 7.81 22 T 8.85 4.41 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 1.26 0.00 0.00 23 E 6.95 5.13 0.00 1.79 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 2.17 2.21 0.00 24 W 9.32 5.17 0.00 3.37 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 25 P 0.00 4.39 0.00 2.24 2.34 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 26 E 8.29 4.19 0.00 2.19 2.30 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 2.48 2.36 0.00 27 L 8.15 4.43 0.00 1.97 1.76 0.78 0.61 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 28 V 7.38 3.88 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 0.82 0.00 0.00 1.01 0.00 0.00 29 G 9.17 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 0.00 0.00 0.00 0.00 30 K 7.81 4.37 0.00 1.93 1.74 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.53 7.81 31 S 8.51 4.75 0.00 4.24 3.99 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 0.00 0.00 0.00 32 V 8.38 3.60 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 0.89 0.00 0.00 0.87 0.00 0.00 33 E 8.03 3.88 0.00 2.05 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 2.38 2.40 0.00 34 E 8.32 3.89 0.00 2.03 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 2.29 2.31 0.00 35 A 8.06 3.87 1.28 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 0.00 0.00 36 K 8.13 3.67 0.00 1.86 1.79 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.56 7.81 37 K 7.88 3.84 0.00 1.81 1.91 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.43 7.81 38 V 7.93 3.57 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 1.06 0.00 0.00 0.96 0.00 0.00 39 I 7.64 3.20 1.51 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.34 0.00 0.00 40 L 8.00 4.13 0.00 1.70 1.68 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.66 4.02 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 42 D 8.01 4.77 0.00 3.22 3.01 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 0.00 0.00 0.00 43 K 8.37 4.69 0.00 1.94 1.82 0.00 1.87 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.37 1.48 7.81 44 P 0.00 4.55 0.00 2.08 2.10 0.00 3.80 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 45 A 7.86 4.44 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 A 7.85 4.24 1.25 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 0.00 0.00 0.00 47 Q 9.36 4.31 0.00 1.88 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.55 0.00 48 I 8.10 4.71 1.77 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.41 0.78 0.00 0.00 49 I 8.28 4.43 1.79 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 1.01 1.46 0.78 0.00 0.00 50 V 8.29 4.52 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 0.78 0.00 0.00 0.84 0.00 0.00 51 L 8.56 4.90 0.00 1.03 1.44 0.72 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.94 0.00 2.13 2.00 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 53 V 8.71 3.95 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 0.75 0.00 0.00 0.93 0.00 0.00 54 G 8.80 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.20 4.51 4.32 0.00 0.00 0.00 0.00 0.00 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 56 I 7.97 4.46 1.89 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 1.41 0.62 0.93 0.00 0.00 57 V 7.90 4.66 2.20 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 1.01 0.00 0.00 1.07 0.00 0.00 58 T 8.43 4.11 4.31 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 1.23 0.00 0.00 59 K 8.33 4.68 0.00 1.77 1.87 0.00 1.79 0.00 0.00 1.81 0.00 0.00 3.14 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.35 7.81 60 E 8.15 4.32 0.00 2.12 1.98 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 2.29 2.25 0.00 61 Y 8.47 4.68 0.00 2.93 2.94 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 0.00 0.00 0.00 62 R 8.10 4.35 0.00 1.68 1.87 0.00 3.31 0.00 0.00 3.07 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 63 I 8.14 3.46 1.89 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.63 0.90 0.00 0.00 64 D 7.92 4.56 0.00 2.91 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 65 R 7.70 4.93 0.00 1.86 1.86 0.00 2.98 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 66 V 8.46 4.58 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 0.76 0.00 0.00 0.90 0.00 0.00 67 R 8.65 4.52 0.00 1.68 1.23 0.00 3.29 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 68 L 8.64 4.54 0.00 1.38 1.47 0.79 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 69 F 8.74 5.07 0.00 3.00 2.98 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 0.00 70 V 8.69 5.06 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 0.75 0.00 0.00 1.03 0.00 0.00 71 D 8.79 4.82 0.00 2.91 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 72 R 8.39 4.11 0.00 1.95 2.11 0.00 3.03 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 73 L 8.00 4.29 0.00 1.83 1.75 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.16 4.53 0.00 2.97 2.79 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 75 N 8.00 5.33 0.00 3.03 2.79 0.00 0.00 7.02 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.75 4.00 2.08 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 1.40 0.97 0.98 0.00 0.00 77 A 8.95 4.70 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 78 Q 7.70 4.58 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.89 0.00 0.00 0.00 0.00 0.00 2.27 2.13 0.00 79 V 8.38 3.81 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 0.90 0.00 0.00 0.98 0.00 0.00 80 P 0.00 4.80 0.00 2.30 1.95 0.00 4.01 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 81 R 8.53 5.41 0.00 1.97 1.98 0.00 3.15 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 82 V 8.94 3.96 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 0.77 0.00 0.00 1.20 0.00 0.00 83 G 8.57 3.12 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.