NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.2038 8.3444 121.7106 55.8766 29.7196 173.9662 3 V 3.8456 8.3341 126.0556 60.9444 32.2939 170.7932 4 V 4.0500 8.1492 128.0939 60.5251 31.3135 172.7693 5 R 3.9928 8.0842 122.9902 56.3173 28.8944 176.3745 6 T 4.0964 8.0124 120.9003 63.1540 69.2398 175.0620 7 K 4.3358 8.1405 124.2614 54.8175 33.5494 175.5807 8 N 4.3965 8.7453 124.5849 53.4028 38.9480 175.0849 9 V 4.2318 8.1966 122.0705 61.1673 34.0671 174.5997 10 T 4.3405 8.4406 118.0559 59.8278 68.7888 174.2201 11 L 4.0369 8.4134 126.2003 55.5675 42.3322 177.1262 12 K 4.9036 8.6449 120.8711 53.8829 36.3198 173.6129 13 P 5.7028 0.0000 0.0000 61.7387 32.8699 174.9603 *15 D 4.5011 8.4594 120.0924 53.8332 42.3155 176.7406 16 V 3.4865 8.2285 123.2609 64.8846 31.2569 178.3591 17 E 3.8549 8.4826 119.2799 58.9841 29.2211 178.9638 18 E 3.7643 7.8571 118.7270 59.1737 29.6237 178.4715 19 A 3.1233 7.2186 119.4429 54.7694 18.3265 179.2307 20 R 3.7614 7.5856 116.3182 59.2587 30.3448 178.2782 21 L 4.2614 7.2554 121.3943 57.6115 42.1739 180.5261 22 Q 3.9681 7.4133 117.2674 56.1083 28.5812 178.7190 *24 E 4.1981 8.2017 121.1302 56.5340 31.4891 178.0375 25 L 3.9315 7.9049 117.6768 58.0483 42.0287 178.8948 26 L 3.8673 7.9193 117.7199 55.8055 41.5755 179.4447 27 G 3.9341 8.0218 106.4259 45.7878 0.0000 173.4964 28 H 4.6455 7.3213 116.1268 55.8247 29.6103 174.5367 29 D 5.2582 8.7247 116.5904 53.0695 40.5924 175.0748 30 F 5.5812 7.5964 112.4509 56.5485 41.5695 173.6328 31 F 4.3161 9.2538 119.1065 57.6338 42.6656 172.6978 32 I 4.8758 7.9795 127.4171 60.7229 39.3411 173.8016 33 Y 4.6202 8.3929 124.8943 57.2706 42.1129 172.1337 34 T 4.8244 8.7375 116.5643 61.3648 71.0672 173.9457 35 D 4.8094 8.8708 127.4652 54.5339 41.5788 177.4520 36 S 4.3116 9.2219 121.1933 60.6119 63.2630 174.8287 37 E 4.4540 8.2486 119.8317 57.3279 30.2794 176.4018 38 D 4.7426 7.8770 114.8957 52.0777 40.2324 175.2647 39 G 3.9542 8.3836 104.6070 46.6640 0.0000 173.9343 40 A 4.1834 7.8929 121.1185 51.6997 19.9671 177.2460 41 T 4.4070 8.3707 115.8165 61.8009 68.5515 173.2952 42 N 5.3952 9.2802 126.6604 51.5978 42.7809 174.1981 43 I 5.1088 9.0898 121.2713 59.6892 40.4849 174.5674 44 L 4.9387 9.3316 130.2507 55.3048 43.5143 175.1130 45 Y 5.2383 7.9888 119.0447 56.1759 41.6771 173.0456 46 R 4.4133 8.9446 123.2366 56.3154 30.9599 176.8446 47 R 4.5949 9.7308 126.8022 55.2321 31.4597 177.4185 48 E 4.0661 8.7179 118.2290 59.6921 29.4252 178.2542 49 D 4.4982 8.0118 115.1704 54.0451 39.6005 175.9387 50 G 4.0310 7.9160 108.2120 45.9158 0.0000 174.0126 51 N 4.6850 8.7964 117.5171 52.3447 39.5937 173.4437 52 L 4.6930 8.1687 119.2298 54.1248 42.6885 176.4019 53 G 3.7503 7.6895 110.0643 44.5123 0.0000 171.8028 54 L 5.2133 8.0890 120.6515 53.6099 44.6261 175.5031 55 I 4.4571 9.2400 128.1638 60.1261 39.4375 174.8149 56 E 4.8672 8.6550 126.8153 54.0842 30.7235 174.9895 57 A 4.0690 8.3926 129.6069 51.9586 18.9795 176.9735 58 K 4.3406 8.6653 123.2899 55.1827 32.7842 176.9033 59 L 4.3397 8.2949 123.5582 55.7322 40.5102 176.3475 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 2 Q 8.34 4.20 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.41 0.00 3 V 8.33 3.85 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 0.80 0.00 0.00 0.93 0.00 0.00 4 V 8.15 4.05 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 0.84 0.00 0.00 0.92 0.00 0.00 5 R 8.08 3.99 0.00 1.82 1.89 0.00 3.30 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 6 T 8.01 4.10 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 7 K 8.14 4.34 0.00 1.68 1.70 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.48 7.81 8 N 8.75 4.40 0.00 2.76 2.76 0.00 0.00 6.85 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.20 4.23 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 1.00 0.00 0.00 10 T 8.44 4.34 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 11 L 8.41 4.04 0.00 1.54 1.68 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.64 4.90 0.00 1.76 1.72 0.00 1.72 0.00 0.00 1.92 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.67 7.81 13 P 0.00 5.70 0.00 2.13 2.08 0.00 3.45 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.83 0.00 *15 D 8.46 4.50 0.00 2.81 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 16 V 8.23 3.49 2.22 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 0.78 0.00 0.00 0.97 0.00 0.00 17 E 8.48 3.85 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 2.38 2.43 0.00 18 E 7.86 3.76 0.00 2.00 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 2.32 2.29 0.00 19 A 7.22 3.12 0.63 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 0.00 0.00 20 R 7.59 3.76 0.00 1.69 2.00 0.00 3.19 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 21 L 7.26 4.26 0.00 1.62 1.64 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 7.41 3.97 0.00 1.42 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.16 0.00 0.00 0.00 0.00 0.00 2.25 2.20 0.00 *24 E 8.20 4.20 0.00 2.11 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 2.24 2.44 0.00 25 L 7.90 3.93 0.00 1.66 1.68 0.85 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.92 3.87 0.00 1.46 1.25 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.02 3.93 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 0.00 0.00 0.00 28 H 7.32 4.65 0.00 3.11 2.83 0.00 5.60 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.72 5.26 0.00 2.82 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 30 F 7.60 5.58 0.00 3.20 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 31 F 9.25 4.32 0.00 3.06 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 32 I 7.98 4.88 1.91 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 1.35 1.16 0.80 0.00 0.00 33 Y 8.39 4.62 0.00 3.36 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 34 T 8.74 4.82 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 1.21 0.00 0.00 35 D 8.87 4.81 0.00 2.65 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.22 4.31 0.00 4.06 4.07 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 0.00 0.00 0.00 37 E 8.25 4.45 0.00 2.25 2.05 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 2.30 2.39 0.00 38 D 7.88 4.74 0.00 2.72 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.38 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 40 A 7.89 4.18 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 41 T 8.37 4.41 4.18 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 0.00 0.00 0.00 1.20 0.00 0.00 42 N 9.28 5.40 0.00 1.44 2.37 0.00 0.00 6.31 5.12 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 43 I 9.09 5.11 2.01 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 1.16 0.67 1.12 0.00 0.00 44 L 9.33 4.94 0.00 2.06 1.76 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 7.99 5.24 0.00 3.42 3.18 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 0.00 0.00 0.00 0.00 46 R 8.94 4.41 0.00 1.92 1.98 0.00 3.30 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 47 R 9.73 4.59 0.00 2.20 1.93 0.00 3.29 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 48 E 8.72 4.07 0.00 2.00 2.04 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 2.37 2.36 0.00 49 D 8.01 4.50 0.00 2.79 2.80 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 50 G 7.92 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 0.00 0.00 0.00 51 N 8.80 4.69 0.00 2.76 2.73 0.00 0.00 6.43 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.17 4.69 0.00 1.71 1.55 0.85 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.69 3.75 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 0.00 0.00 0.00 54 L 8.09 5.21 0.00 1.62 1.56 1.19 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 55 I 9.24 4.46 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.88 0.96 0.00 0.00 56 E 8.66 4.87 0.00 1.95 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 2.16 2.34 0.00 57 A 8.39 4.07 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.67 4.34 0.00 1.74 1.77 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.56 7.81 59 L 8.29 4.34 0.00 1.68 1.56 0.91 0.63 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 * Residues marked with a * may have inaccurate shift predictions.