NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 V 4.0050 7.9133 120.6361 62.8928 32.8766 173.9321 15 N 5.4350 8.7461 125.3294 51.3007 41.0711 172.9459 16 L 4.7900 8.9926 121.0796 53.0923 47.1155 175.1285 17 D 4.8606 8.7914 122.6392 53.3456 41.5982 176.0324 18 V 4.7275 8.9022 124.2331 61.4317 32.5424 178.9743 19 K 3.8988 7.6973 123.4328 57.5797 31.4536 180.1010 20 H 4.5868 8.0512 111.3354 56.2802 29.3531 174.6902 21 F 5.0551 7.9751 119.3402 55.2947 40.8860 175.7597 22 S 4.5033 9.4260 120.7975 57.1726 64.0863 173.4477 23 P 4.1138 0.0000 0.0000 66.5330 31.2121 179.2964 24 E 4.0978 8.2536 112.5050 58.2456 29.9759 179.3667 25 E 4.5297 8.9860 115.8761 56.9604 30.1546 175.2982 26 L 5.1991 7.4332 118.7974 52.9298 44.4731 176.2224 27 K 4.5911 8.5828 120.1520 55.6473 36.1748 174.8393 28 V 4.8857 8.4718 123.7223 61.0165 33.9963 174.6773 29 K 4.6278 8.7486 125.9910 54.6432 36.3266 175.4668 30 V 4.3329 8.5500 124.9290 62.0830 32.4217 175.6895 31 L 4.5341 8.7830 130.1695 53.5851 42.2539 177.2580 32 G 4.0553 8.3811 118.3299 46.9874 0.0000 172.3281 33 D 4.7995 8.6483 122.8141 52.8706 40.0355 173.4821 34 V 5.2975 7.2102 119.3595 61.1166 34.2505 174.7230 35 I 4.4176 8.5474 129.0458 61.3123 38.4275 174.4388 36 E 5.1789 9.2506 127.7495 54.6716 31.7631 175.1735 37 V 4.8506 8.7883 124.4643 61.3058 34.4572 173.6694 38 H 4.7171 9.0788 127.2910 54.0834 33.3008 172.3448 39 G 3.3238 7.0222 111.0398 44.0356 0.0000 171.2605 40 K 5.2393 8.0344 124.0042 55.9613 36.2323 174.5239 41 H 4.7426 8.7972 117.8439 55.3427 31.9898 174.3717 42 E 4.6336 9.1045 121.0916 55.6698 30.8506 172.8761 43 E 4.0829 8.6071 118.9064 58.6097 30.3811 176.4448 44 R 4.5195 8.3205 123.8156 55.2058 34.0722 174.2078 45 Q 4.7328 8.8846 128.0056 56.7377 29.1911 174.1922 46 D 4.4320 8.5490 122.2706 53.6190 42.5813 176.8001 47 E 4.1727 9.0567 114.4185 59.2976 29.6269 173.6178 48 H 4.7409 8.8218 112.3818 55.6664 30.8023 175.2189 49 G 4.2703 6.3501 108.6795 45.2216 0.0000 174.4290 *50 F 5.4309 8.4202 124.4017 55.0641 40.8654 173.3060 51 I 4.7862 8.6566 116.3948 59.0887 40.7000 174.4740 52 S 4.9142 8.7009 119.0358 57.0286 65.6812 173.4474 53 R 4.8061 8.1263 118.7512 54.7660 34.4910 173.8036 54 E 5.3170 8.8178 122.2097 54.8632 33.2475 174.0895 55 F 5.0973 8.8736 119.2195 56.0489 42.0142 172.8889 56 H 5.1387 8.9191 119.7023 55.0493 32.2779 172.1286 57 R 4.7232 9.2909 126.7221 54.5155 33.1831 174.7277 58 K 5.0204 8.0725 122.9508 55.1298 35.9786 175.1253 59 Y 4.8913 8.8792 122.5288 56.2006 41.0089 175.3742 60 R 4.5615 8.7755 123.6511 56.5334 31.6410 176.6018 61 I 4.2308 8.5266 123.2211 58.2063 37.0343 175.7043 62 P 4.3872 0.0000 0.0000 61.3717 30.8036 177.2440 63 A 4.0809 9.1045 127.6011 53.3787 17.7407 182.6679 64 D 4.6780 7.9171 115.0387 52.1148 38.3553 176.7367 65 V 4.1163 6.8825 115.7308 62.5876 34.2986 169.9079 66 D 5.1930 8.9987 134.5701 53.7601 43.8380 174.0557 67 P 4.6028 0.0000 0.0000 63.0820 30.9986 175.1749 68 L 3.0539 8.1226 114.0809 55.8843 44.1039 182.0798 69 T 3.1304 7.9922 102.5910 63.6185 71.4679 172.4939 70 I 4.5457 8.0696 125.8600 60.8535 37.6838 175.1793 71 T 4.9177 9.6480 117.1588 60.2421 72.8602 172.3219 72 S 5.1541 8.3279 115.4885 57.2116 67.0362 173.3647 73 S 4.3974 9.2241 113.5199 57.4582 66.0361 172.9431 74 L 4.8977 8.5869 130.5849 53.3228 42.3052 176.1333 75 S 4.3890 8.7064 121.9435 58.3426 63.5578 174.4589 76 S 4.5610 8.4592 113.9727 58.6595 63.6285 173.8724 77 D 4.7354 7.9449 121.5085 53.6739 39.7818 178.1643 78 G 3.8985 8.3027 106.5317 46.6703 0.0000 173.6949 79 V 4.3699 7.3063 120.2304 62.3735 32.7586 174.4238 80 L 5.0306 9.0550 130.5747 53.8561 44.1974 175.1052 81 T 5.1747 8.6924 121.8541 61.7864 72.4709 173.0658 82 V 4.9386 8.4523 124.4292 61.2797 34.5859 174.1113 83 N 4.9855 9.7575 124.1887 52.1578 41.5330 174.9236 84 G 3.9460 8.2676 107.0346 46.3053 0.0000 173.1285 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 14 V 7.91 4.00 1.71 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 0.46 0.00 0.00 0.60 0.00 0.00 15 N 8.75 5.44 0.00 2.70 2.70 0.00 0.00 6.93 6.97 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 16 L 8.99 4.79 0.00 1.63 1.51 1.05 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.79 4.86 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.90 4.73 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 0.81 0.00 0.00 1.10 0.00 0.00 19 K 7.70 3.90 0.00 1.91 1.76 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.31 7.81 20 H 8.05 4.59 0.00 2.49 2.93 0.00 5.82 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 F 7.98 5.06 0.00 3.26 3.05 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 0.00 0.00 0.00 0.00 22 S 9.43 4.50 0.00 3.99 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 23 P 0.00 4.11 0.00 2.22 2.18 0.00 3.64 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 24 E 8.25 4.10 0.00 1.98 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 2.23 1.91 0.00 25 E 8.99 4.53 0.00 2.35 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 0.00 2.42 2.34 0.00 26 L 7.43 5.20 0.00 1.52 1.54 1.03 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.58 4.59 0.00 1.85 1.80 0.00 1.37 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.32 1.26 7.81 28 V 8.47 4.89 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 0.88 0.00 0.00 0.96 0.00 0.00 29 K 8.75 4.63 0.00 1.82 1.63 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.34 1.23 7.81 30 V 8.55 4.33 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 0.81 0.00 0.00 0.95 0.00 0.00 31 L 8.78 4.53 0.00 1.75 1.58 0.99 0.93 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 32 G 8.38 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.65 4.80 0.00 2.61 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 34 V 7.21 5.30 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 1.37 0.00 0.00 0.94 0.00 0.00 35 I 8.55 4.42 2.13 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 1.39 0.58 1.08 0.00 0.00 36 E 9.25 5.18 0.00 1.94 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 2.26 2.26 0.00 37 V 8.79 4.85 2.32 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 1.16 0.00 0.00 1.15 0.00 0.00 38 H 9.08 4.72 0.00 2.91 2.86 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.02 3.32 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 0.00 0.00 0.00 0.00 40 K 8.03 5.24 0.00 1.59 1.60 0.00 1.87 0.00 0.00 1.78 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.39 7.81 41 H 8.80 4.74 0.00 3.51 3.61 0.00 5.34 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 9.10 4.63 0.00 1.78 1.80 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 2.23 1.88 0.00 43 E 8.61 4.08 0.00 1.99 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 2.35 0.00 44 R 8.32 4.52 0.00 1.89 1.68 0.00 3.02 0.00 0.00 3.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 45 Q 8.88 4.73 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.56 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 46 D 8.55 4.43 0.00 2.82 2.73 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 47 E 9.06 4.17 0.00 2.01 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 2.23 1.91 0.00 48 H 8.82 4.74 0.00 3.20 3.37 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 6.35 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 0.00 0.00 0.00 0.00 *50 F 8.42 5.43 0.00 2.39 2.24 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 51 I 8.66 4.79 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.82 0.88 0.00 0.00 52 S 8.70 4.91 0.00 3.98 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 53 R 8.13 4.81 0.00 1.66 1.96 0.00 2.73 0.00 0.00 3.04 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.34 0.00 54 E 8.82 5.32 0.00 1.93 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 0.00 2.13 2.34 0.00 55 F 8.87 5.10 0.00 3.09 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 56 H 8.92 5.14 0.00 3.08 3.18 0.00 5.87 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 9.29 4.72 0.00 2.05 1.93 0.00 2.99 0.00 0.00 2.76 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.03 0.00 58 K 8.07 5.02 0.00 1.50 1.59 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.24 1.28 7.81 59 Y 8.88 4.89 0.00 2.87 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 60 R 8.78 4.56 0.00 2.00 1.88 0.00 3.31 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.20 0.00 61 I 8.53 4.23 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 0.76 0.91 0.00 0.00 62 P 0.00 4.39 0.00 2.03 2.12 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 63 A 9.10 4.08 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 64 D 7.92 4.68 0.00 2.79 2.78 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 65 V 6.88 4.12 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 0.70 0.00 0.00 0.92 0.00 0.00 66 D 9.00 5.19 0.00 2.74 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 67 P 0.00 4.60 0.00 2.07 2.04 0.00 3.76 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 2.04 2.12 0.00 68 L 8.12 3.05 0.00 1.69 1.48 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 69 T 7.99 3.13 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 1.31 0.00 0.00 70 I 8.07 4.55 1.87 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 1.28 0.81 0.97 0.00 0.00 71 T 9.65 4.92 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 72 S 8.33 5.15 0.00 3.97 3.85 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 73 S 9.22 4.40 0.00 3.84 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 74 L 8.59 4.90 0.00 1.70 1.61 1.01 1.04 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 75 S 8.71 4.39 0.00 4.04 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 76 S 8.46 4.56 0.00 4.00 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 77 D 7.94 4.74 0.00 2.87 2.91 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 78 G 8.30 3.90 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 0.00 0.00 0.00 79 V 7.31 4.37 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 0.93 0.00 0.00 0.94 0.00 0.00 80 L 9.06 5.03 0.00 1.85 1.57 1.01 0.56 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 81 T 8.69 5.17 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 82 V 8.45 4.94 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 0.76 0.00 0.00 0.94 0.00 0.00 83 N 9.76 4.99 0.00 2.76 2.82 0.00 0.00 6.38 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.27 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 * Residues marked with a * may have inaccurate shift predictions.