NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 G 3.8496 8.3549 109.7364 45.1167 0.0000 173.9996 2 R 4.3024 8.2015 120.5674 52.6708 31.4652 173.6011 3 Q 4.5133 8.9058 121.4908 53.5466 32.8098 174.3049 4 F 4.3158 8.5384 118.2918 59.1093 39.3520 175.2907 5 G 4.1410 9.2072 112.8465 46.0985 0.0000 174.0522 6 H 5.0077 8.0217 114.3690 55.4857 29.8309 174.8515 7 L 4.0237 7.7680 120.0239 56.4826 41.8670 177.4676 8 T 4.3085 7.1495 110.6311 61.5642 70.2530 172.1612 9 R 4.3990 8.3682 123.4762 54.7306 30.7167 175.3795 10 V 4.4537 8.2335 124.3039 61.0202 34.3081 174.5894 11 R 4.4687 7.9772 124.6802 55.8041 33.4135 174.5197 12 H 4.1208 8.7038 116.7817 56.9903 25.9483 174.5412 13 V 4.3522 7.8538 118.0889 60.9709 33.2928 174.4518 14 I 4.3202 8.2286 127.3553 59.6065 39.1930 174.8858 15 T 4.4892 8.0753 121.1632 61.7118 70.7937 173.0273 16 Y 4.8199 8.4650 123.0642 56.3262 40.5055 175.2826 17 S 4.7887 8.4946 118.7409 56.8536 67.1993 173.1692 18 L 4.8056 8.0860 121.6734 52.5129 44.3674 176.7913 19 S 4.2939 8.4232 116.3366 57.6332 63.2130 173.5414 20 P 4.2129 0.0000 0.0000 65.5701 31.2106 178.1193 21 F 4.4292 7.7796 115.7891 59.0487 38.9372 175.7101 22 E 4.5149 8.0035 119.3126 56.2274 29.9443 175.5629 23 Q 4.6684 7.4599 115.6232 53.7632 31.8213 175.2836 24 R 4.0772 8.3431 117.5236 56.2716 30.6882 176.9708 25 A 4.0868 8.4107 123.2969 53.2568 19.8256 177.6262 26 F 4.7949 7.6095 114.9492 55.6711 39.7703 173.8064 27 P 4.3751 0.0000 0.0000 64.6000 31.6191 175.7601 28 H 4.2066 9.0092 120.2740 56.3047 26.8428 176.3369 29 Y 4.1251 7.9418 120.1760 61.1186 38.6126 177.2400 30 F 4.3610 7.8620 117.4156 60.0667 39.4336 178.0490 31 S 4.2117 8.3195 112.0784 61.0075 63.0478 175.6222 32 K 4.5267 8.3631 120.7119 56.7163 33.2152 178.8711 33 G 3.9077 7.7544 107.1603 47.2778 0.0000 175.4006 34 I 3.6774 7.5225 122.7644 63.5798 37.1539 176.6361 35 P 4.2320 0.0000 0.0000 65.7323 31.0656 178.1879 36 N 4.2759 8.0661 115.3976 56.6381 38.8313 177.1613 37 V 3.5764 8.0537 119.9368 65.8939 31.5237 178.0827 38 L 3.9868 8.2239 119.3467 57.4658 41.3590 179.3702 39 R 3.8598 8.1218 118.8426 59.6085 30.2495 178.8009 40 R 3.9189 8.2804 118.1858 59.4494 30.0262 179.2442 41 T 3.9317 8.1026 115.5343 66.8512 68.3058 176.8796 42 R 3.9362 7.9269 118.2394 59.2801 30.1654 178.7989 43 A 4.1658 8.3104 119.9004 54.1584 18.5024 178.2807 44 C 4.6831 7.6674 110.7565 58.8626 31.4195 176.0314 45 I 3.3715 7.8301 122.4469 64.7461 36.4765 177.7653 46 L 4.1829 7.9250 117.4347 56.7317 41.6167 178.4320 47 R 4.3561 8.6194 118.2666 57.5080 31.5097 178.1509 48 V 4.0230 7.6159 116.9757 65.2341 31.9823 177.8069 49 A 4.0999 8.1495 120.4684 54.7887 18.3178 177.4841 50 P 4.2230 0.0000 0.0000 65.7349 31.3858 176.9393 51 P 4.2291 0.0000 0.0000 65.5206 31.1610 178.6182 52 F 4.3866 7.6834 114.9384 60.0219 38.7866 178.0029 53 V 3.8365 8.1217 118.2576 65.6369 31.2430 177.9463 54 A 4.0420 8.1389 120.7957 54.9820 18.2297 179.3395 55 F 4.1832 8.4195 119.2510 61.7662 39.5408 176.6205 56 Y 3.9000 8.4583 119.4361 60.6020 38.3991 178.3142 57 L 3.7841 8.3088 120.2623 57.7583 41.8298 179.5433 58 V 3.6278 8.0527 118.5913 65.9777 31.3287 177.3983 59 Y 3.8008 8.0535 119.9025 60.7968 38.6364 178.2183 60 T 3.5171 7.4961 110.6501 64.3082 68.8667 176.0884 61 W 4.0543 8.3437 131.8530 60.0122 30.6828 178.0449 62 G 3.4141 8.6727 105.8005 48.0150 0.0000 175.6739 63 T 3.6703 7.6941 118.6088 66.4113 68.3788 176.8297 64 Q 3.8372 7.7862 119.8565 58.8536 28.7684 178.5148 65 E 3.4934 7.9859 120.6757 58.8404 29.2059 178.7216 66 F 4.0990 7.8167 120.1378 61.1959 39.8608 176.6891 67 E 3.7728 8.1240 118.1478 59.3265 29.1468 179.4207 68 K 3.8424 7.9959 118.8045 59.4572 31.9155 179.3205 69 S 4.1541 7.6024 112.3953 60.2558 63.0291 175.6129 70 K 4.1351 7.3507 120.7915 55.9020 32.3892 176.3740 71 R 4.4814 6.7870 115.7448 53.9307 31.6908 176.9143 72 K 3.9861 8.6214 117.2461 59.1399 31.9545 177.7713 73 N 4.7861 7.6020 119.7039 50.1530 38.8010 170.9482 74 P 4.0282 0.0000 0.0000 62.3422 32.2126 176.5587 *75 A 4.1104 8.4901 124.0207 52.5049 18.7843 176.2724 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 G 8.35 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 0.00 0.00 0.00 2 R 8.20 4.30 0.00 1.78 1.77 0.00 3.11 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 3 Q 8.91 4.51 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 7.07 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 4 F 8.54 4.32 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.21 4.14 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 0.00 0.00 0.00 6 H 8.02 5.01 0.00 3.22 3.20 0.00 5.68 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.77 4.02 0.00 1.61 1.60 0.54 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.15 4.31 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 9 R 8.37 4.40 0.00 1.80 1.81 0.00 3.23 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 10 V 8.23 4.45 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 0.89 0.00 0.00 0.93 0.00 0.00 11 R 7.98 4.47 0.00 1.63 1.27 0.00 3.35 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.55 0.00 12 H 8.70 4.12 0.00 3.33 3.42 0.00 5.65 0.00 0.00 0.00 0.00 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.85 4.35 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 0.81 0.00 0.00 0.93 0.00 0.00 14 I 8.23 4.32 1.69 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 1.32 0.72 0.26 0.00 0.00 15 T 8.08 4.49 4.14 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 1.18 0.00 0.00 16 Y 8.47 4.82 0.00 2.90 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 17 S 8.49 4.79 0.00 3.80 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 18 L 8.09 4.81 0.00 1.59 1.55 0.92 0.87 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 19 S 8.42 4.29 0.00 3.91 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 20 P 0.00 4.21 0.00 1.84 2.09 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.76 0.00 21 F 7.78 4.43 0.00 3.12 3.10 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 0.00 22 E 8.00 4.51 0.00 2.09 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 2.36 2.41 0.00 23 Q 7.46 4.67 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.22 0.00 24 R 8.34 4.08 0.00 1.81 1.92 0.00 3.22 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 25 A 8.41 4.09 0.89 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 0.00 0.00 26 F 7.61 4.79 0.00 2.94 2.81 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 27 P 0.00 4.38 0.00 2.04 2.01 0.00 3.93 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 28 H 9.01 4.21 0.00 3.38 3.39 0.00 5.68 0.00 0.00 0.00 0.00 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 7.94 4.13 0.00 3.13 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.86 4.36 0.00 3.20 3.04 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 0.00 0.00 0.00 0.00 31 S 8.32 4.21 0.00 4.04 4.09 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 0.00 0.00 0.00 32 K 8.36 4.53 0.00 1.98 1.87 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 1.40 7.81 33 G 7.75 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 34 I 7.52 3.68 1.90 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.05 0.92 0.00 0.00 35 P 0.00 4.23 0.00 2.14 2.10 0.00 3.68 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 2.35 2.15 0.00 36 N 8.07 4.28 0.00 2.98 2.87 0.00 0.00 6.86 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.05 3.58 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 1.04 0.00 0.00 0.96 0.00 0.00 38 L 8.22 3.99 0.00 1.87 1.69 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.12 3.86 0.00 1.86 2.09 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 40 R 8.28 3.92 0.00 1.86 1.96 0.00 3.17 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 41 T 8.10 3.93 4.37 0.00 0.00 0.00 0.00 0.00 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 42 R 7.93 3.94 0.00 1.93 2.00 0.00 3.17 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 43 A 8.31 4.17 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.67 4.68 0.00 3.25 3.15 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 0.00 0.00 0.00 0.00 45 I 7.83 3.37 1.98 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 1.54 0.89 0.93 0.00 0.00 46 L 7.92 4.18 0.00 1.61 1.74 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.62 4.36 0.00 1.83 1.99 0.00 3.35 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 48 V 7.62 4.02 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 1.22 0.00 0.00 0.99 0.00 0.00 49 A 8.15 4.10 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.22 0.00 2.18 2.17 0.00 3.66 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.25 0.00 51 P 0.00 4.23 0.00 1.74 1.89 0.00 3.74 0.00 0.00 3.78 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 52 F 7.68 4.39 0.00 3.36 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 53 V 8.12 3.84 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 1.21 0.00 0.00 1.03 0.00 0.00 54 A 8.14 4.04 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.42 4.18 0.00 3.18 3.43 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 56 Y 8.46 3.90 0.00 3.24 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 57 L 8.31 3.78 0.00 1.89 1.70 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.05 3.63 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 1.09 0.00 0.00 1.00 0.00 0.00 59 Y 8.05 3.80 0.00 2.32 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 60 T 7.50 3.52 4.08 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 0.00 0.00 0.00 0.65 0.00 0.00 61 W 8.34 4.05 0.00 3.40 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 62 G 8.67 3.41 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 0.00 63 T 7.69 3.67 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 1.05 0.00 0.00 64 Q 7.79 3.84 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 65 E 7.99 3.49 0.00 1.16 1.15 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 0.00 1.55 2.01 0.00 66 F 7.82 4.10 0.00 2.92 3.16 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 0.00 0.00 0.00 0.00 67 E 8.12 3.77 0.00 1.89 1.86 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 2.54 2.38 0.00 68 K 8.00 3.84 0.00 1.70 1.75 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.34 7.81 69 S 7.60 4.15 0.00 3.97 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 70 K 7.35 4.14 0.00 1.58 1.68 0.00 0.96 0.00 0.00 1.05 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.12 0.88 7.81 71 R 6.79 4.48 0.00 1.79 1.86 0.00 2.99 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 72 K 8.62 3.99 0.00 1.74 1.88 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.40 7.81 73 N 7.60 4.79 0.00 2.61 2.67 0.00 0.00 6.97 7.69 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 74 P 0.00 4.03 0.00 2.04 1.99 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.18 0.00 *75 A 8.49 4.11 1.23 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.