NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.1252 8.3144 120.1339 56.4719 33.8896 175.3336 4 E 3.6094 8.2138 114.9547 54.2073 26.5967 170.5382 5 P 4.3338 0.0000 0.0000 64.4523 33.9229 175.9243 6 C 4.5202 8.0217 122.0704 57.1859 31.2223 174.9390 7 V 4.3174 7.1935 114.4374 62.6069 32.3610 176.0436 *9 S 4.4216 8.1534 117.7097 59.0171 64.9103 175.8371 10 L 4.2085 7.7330 120.5112 57.2734 41.3360 179.4105 11 V 3.6958 7.6779 118.9069 66.0796 31.6748 178.2881 12 S 4.2598 8.0913 113.5724 61.4445 62.9292 176.3088 13 Q 3.9522 8.0407 121.1411 59.2016 28.0989 178.4578 14 Y 4.1300 8.1991 118.6738 60.0561 36.6007 178.2310 15 F 4.3035 8.4570 122.2472 61.3585 39.5271 177.2346 16 Q 4.0579 8.1864 117.3324 58.9081 28.6073 178.5544 17 T 4.0507 7.6372 118.1912 65.8771 67.8952 176.6146 18 V 2.8590 7.0534 120.8407 65.4683 31.5524 178.2766 19 T 3.7847 6.9169 112.5361 66.3572 66.7671 176.3615 20 D 4.2637 7.7219 121.1822 57.6783 41.0744 178.3855 21 Y 4.6915 7.1086 118.9867 58.9151 38.1364 178.0899 22 G 3.7128 7.3299 107.0798 47.4137 0.0000 175.9956 23 K 3.9819 7.8691 120.4578 59.5727 31.8400 179.0451 24 D 4.6701 7.5354 118.5018 56.8124 40.5556 178.9302 25 L 4.1560 7.6514 118.5559 57.9636 41.6477 179.3525 26 M 4.1177 8.3132 118.6606 58.2136 31.2866 178.6679 27 E 4.0359 8.3274 119.0772 59.1414 29.4132 179.1163 28 K 4.3574 7.5516 118.5981 57.8670 32.2090 178.9104 29 V 3.8578 7.5487 117.7227 64.8878 32.0042 177.0641 30 K 4.5544 8.1166 118.0996 56.5837 32.1575 179.0368 31 S 4.1482 7.9694 115.7770 60.7373 62.8536 174.5254 32 P 4.3335 0.0000 0.0000 65.2308 30.6002 177.7879 33 E 4.2095 7.8537 118.5238 58.5311 29.3915 177.8923 34 L 4.2728 7.8246 119.9006 54.1336 40.8167 175.1845 35 Q 4.3079 7.9547 122.0404 55.9679 31.4845 174.1848 36 A 4.3045 8.2391 119.1964 53.7016 18.8299 178.5358 37 E 3.9563 8.4122 117.8305 56.4938 29.6647 174.4625 38 A 4.5617 7.7893 118.3300 53.9441 21.1633 178.3198 39 K 4.1597 8.5428 117.0864 59.5440 32.1351 179.0143 40 S 4.1939 8.2213 114.2715 61.7702 62.5690 175.8682 41 Y 4.1104 7.9112 122.0290 60.4461 37.6856 177.5079 42 F 4.2477 8.2590 121.2461 60.8949 39.6240 177.0301 43 E 3.7012 8.4058 118.4029 59.3483 28.7156 179.3612 44 K 4.2163 8.4268 119.8594 58.5908 31.9821 179.6347 45 S 4.1596 7.5346 115.1486 61.3279 62.8721 176.7227 46 K 3.9635 7.3049 122.3147 58.4975 31.5219 178.2567 47 E 4.2643 7.6912 116.6902 56.9057 29.1661 177.7354 48 Q 4.5002 7.2849 117.0149 54.7630 31.3447 176.9214 49 L 4.1725 7.7664 118.8167 57.8872 42.6348 178.4749 50 T 4.0082 7.7350 115.6031 66.2526 68.4801 175.1595 51 P 4.2817 0.0000 0.0000 65.4065 31.1604 178.5456 52 L 4.0314 7.8283 118.1981 58.5932 40.2385 179.3532 53 I 3.7225 7.3568 120.1926 64.2280 37.4898 178.2162 54 K 4.1213 7.9324 118.5692 58.7717 31.6166 179.2202 55 K 3.9441 8.1279 120.3367 59.2628 32.1356 178.6579 56 A 4.1075 7.9591 120.8321 54.3976 18.1660 179.9955 57 G 3.4183 7.7200 104.4458 48.3037 0.0000 176.0878 58 T 3.8751 7.7497 115.3167 64.2663 67.3302 175.8647 59 E 3.1985 7.6036 120.6411 58.7120 29.5492 178.4309 60 L 3.8386 7.5833 120.0075 58.3330 41.7463 179.2094 61 V 3.5581 7.5791 117.8019 66.3131 31.2261 177.8063 62 N 4.4164 7.3336 113.9821 56.1361 38.1257 177.3550 63 F 4.6004 8.1192 119.2695 60.7803 39.3006 177.8849 64 L 4.5987 8.3457 118.2205 57.3756 40.7890 179.5718 65 S 4.1357 7.7754 113.2365 61.6518 62.3353 175.7582 66 Y 4.3475 7.5241 119.7209 60.1877 37.3068 178.1965 67 F 4.5959 7.8645 117.9511 60.4680 39.4038 177.2394 68 V 3.8650 7.6647 116.8225 65.6872 30.9012 177.9098 69 E 4.1127 7.8868 117.3872 58.7917 30.4072 177.6052 70 L 4.6636 7.7423 120.9960 51.6994 40.1206 176.0483 71 G 4.5227 7.6115 119.2226 46.4124 0.0000 171.9190 72 T 4.3013 7.0984 115.7207 65.4213 69.5611 177.1970 73 Q 3.9921 7.8150 119.5903 58.5199 28.6654 176.0545 74 P 4.4205 0.0000 0.0000 63.5840 31.6651 175.9530 75 A 4.3209 7.6800 127.3345 52.4795 19.0447 176.0565 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 3 K 8.31 4.13 0.00 1.74 1.88 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.49 7.81 4 E 8.21 3.61 0.00 2.13 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 0.00 2.14 2.36 0.00 5 P 0.00 4.33 0.00 2.21 1.95 0.00 3.81 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 1.93 1.94 0.00 6 C 8.02 4.52 0.00 2.97 2.93 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 0.00 0.00 0.00 0.00 7 V 7.19 4.32 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 0.79 0.00 0.00 0.93 0.00 0.00 *9 S 8.15 4.42 0.00 4.07 4.22 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 10 L 7.73 4.21 0.00 1.97 1.95 1.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.68 3.70 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 1.04 0.00 0.00 1.04 0.00 0.00 12 S 8.09 4.26 0.00 4.14 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.04 3.95 0.00 2.30 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.65 0.00 14 Y 8.20 4.13 0.00 3.29 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 15 F 8.46 4.30 0.00 3.31 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 16 Q 8.19 4.06 0.00 2.30 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 2.41 2.70 0.00 17 T 7.64 4.05 4.40 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 1.33 0.00 0.00 18 V 7.05 2.86 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 1.02 0.00 0.00 0.97 0.00 0.00 19 T 6.92 3.78 4.15 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 1.08 0.00 0.00 20 D 7.72 4.26 0.00 2.73 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.11 4.69 0.00 3.11 3.22 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 22 G 7.33 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.87 3.98 0.00 1.97 1.85 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.72 7.81 24 D 7.54 4.67 0.00 2.86 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.65 4.16 0.00 2.01 1.74 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 26 M 8.31 4.12 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.57 0.00 27 E 8.33 4.04 0.00 2.20 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 0.00 2.33 2.60 0.00 28 K 7.55 4.36 0.00 1.85 1.87 0.00 1.66 0.00 0.00 1.49 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.54 7.81 29 V 7.55 3.86 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 0.87 0.00 0.00 1.02 0.00 0.00 30 K 8.12 4.55 0.00 1.81 1.82 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.46 7.81 31 S 7.97 4.15 0.00 4.09 4.26 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 32 P 0.00 4.33 0.00 2.24 2.23 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 33 E 7.85 4.21 0.00 2.28 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 2.31 2.30 0.00 34 L 7.82 4.27 0.00 1.68 1.64 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.95 4.31 0.00 2.27 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.01 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 36 A 8.24 4.30 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.41 3.96 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 38 A 7.79 4.56 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 39 K 8.54 4.16 0.00 2.14 1.91 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.21 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.54 7.81 40 S 8.22 4.19 0.00 4.14 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 41 Y 7.91 4.11 0.00 3.07 3.26 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 42 F 8.26 4.25 0.00 3.09 3.25 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 43 E 8.41 3.70 0.00 2.07 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 0.00 2.36 2.64 0.00 44 K 8.43 4.22 0.00 1.83 1.82 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.38 7.81 45 S 7.53 4.16 0.00 3.71 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 46 K 7.30 3.96 0.00 1.95 1.72 0.00 1.21 0.00 0.00 1.40 0.00 0.00 2.63 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.14 7.81 47 E 7.69 4.26 0.00 2.12 1.91 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 2.27 2.49 0.00 48 Q 7.28 4.50 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 49 L 7.77 4.17 0.00 1.75 1.61 0.86 1.00 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 50 T 7.73 4.01 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 1.17 0.00 0.00 51 P 0.00 4.28 0.00 2.12 2.08 0.00 3.50 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.11 0.00 52 L 7.83 4.03 0.00 1.90 1.91 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.36 3.72 1.99 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 1.50 0.68 0.89 0.00 0.00 54 K 7.93 4.12 0.00 1.94 1.82 0.00 1.53 0.00 0.00 1.88 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.52 7.81 55 K 8.13 3.94 0.00 1.97 1.97 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.66 1.43 7.81 56 A 7.96 4.11 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 57 G 7.72 3.42 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 0.00 0.00 0.00 58 T 7.75 3.88 4.19 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 1.17 0.00 0.00 59 E 7.60 3.20 0.00 2.01 1.50 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 0.00 2.31 2.16 0.00 60 L 7.58 3.84 0.00 1.76 1.65 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.58 3.56 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 0.94 0.00 0.00 0.93 0.00 0.00 62 N 7.33 4.42 0.00 2.84 3.03 0.00 0.00 7.14 7.33 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 63 F 8.12 4.60 0.00 3.21 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 64 L 8.35 4.60 0.00 1.96 1.87 1.22 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.78 4.14 0.00 3.94 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 7.52 4.35 0.00 3.01 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 67 F 7.86 4.60 0.00 3.29 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 68 V 7.66 3.86 2.23 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 1.05 0.00 0.00 1.03 0.00 0.00 69 E 7.89 4.11 0.00 2.29 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 2.28 2.48 0.00 70 L 7.74 4.66 0.00 1.74 1.70 1.07 1.01 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 71 G 7.61 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.10 4.30 4.26 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 1.22 0.00 0.00 73 Q 7.82 3.99 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 74 P 0.00 4.42 0.00 2.19 2.18 0.00 3.64 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 75 A 7.68 4.32 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.