NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3498 8.3344 115.2884 57.7017 63.2167 173.8412 3 I 4.3917 7.1450 120.0866 57.0401 40.9153 173.4022 4 T 4.3113 8.7221 118.9872 61.1918 72.2281 174.0185 5 S 3.9941 8.7221 114.7971 62.4051 62.1764 175.9887 6 D 4.4946 8.2101 120.3394 57.7109 40.6340 179.0951 7 E 4.0027 7.7278 118.6296 59.5630 29.7295 179.9061 8 V 3.7911 7.8787 118.8861 64.9618 31.2770 177.5342 9 N 4.6351 8.2702 117.2654 55.9581 38.3941 176.5390 10 F 4.0775 8.6779 121.6759 61.6346 39.7104 176.9921 11 L 4.0830 8.1933 119.7739 58.6543 41.7229 179.3639 12 V 3.5927 7.8421 117.3049 65.9999 31.5990 176.9528 13 Y 4.2805 8.7077 119.7996 61.7967 38.4982 177.8424 14 R 3.6668 8.7318 118.4460 59.0606 30.0447 178.3614 15 Y 4.1021 8.3350 118.3516 60.8615 39.1983 179.1345 16 L 4.0116 8.2561 119.9789 58.3829 41.7378 178.8714 17 Q 3.8311 7.6585 117.3163 59.0824 28.3556 178.7761 18 E 3.8472 8.0705 119.7966 59.9596 29.9345 179.8764 19 S 3.8583 7.7689 112.4881 58.7267 62.8135 174.4326 20 G 3.5782 8.2068 110.1944 47.3193 0.0000 175.3792 21 F 4.9641 7.6343 116.7411 55.7056 36.0623 175.8580 22 S 4.1107 7.7761 117.0273 62.0732 62.6397 174.9438 23 H 4.4256 8.0660 118.0759 59.1956 28.6416 177.8522 24 S 4.3442 8.2404 115.9491 60.9013 62.6699 176.4302 25 A 4.2095 8.2731 124.1834 55.2991 18.0409 179.1528 26 F 4.3041 8.3936 118.8897 61.6995 39.4575 177.0435 27 T 3.7084 8.0314 114.8890 66.9791 68.6036 176.4069 28 F 4.1328 8.3273 121.4814 60.8087 39.3244 177.2001 29 G 3.2821 8.2807 105.9636 47.3844 0.0000 175.5370 30 I 3.6190 6.9360 121.6506 63.6885 37.3643 177.9672 31 E 3.7564 7.9617 119.0725 58.3436 29.3092 177.8843 32 S 4.2087 6.7898 111.7607 56.9445 64.4974 173.9617 33 H 3.9793 7.8916 118.3122 57.2905 26.3910 176.4196 34 I 3.6493 7.3965 120.7359 63.9597 38.3326 177.7549 35 S 4.2529 7.9128 115.0074 60.6770 62.8381 174.7844 36 Q 4.2773 7.6030 117.3237 56.3705 29.1436 175.9672 37 S 4.2364 7.3766 113.4414 58.0312 63.2931 174.0523 38 N 4.7046 8.5348 128.5863 53.4534 38.0629 174.6113 39 I 4.2731 7.0580 118.3202 59.2203 40.5893 175.8080 40 N 4.4579 8.4712 123.2452 52.6862 38.3587 175.3928 41 G 3.8613 8.8259 116.4281 48.9564 0.0000 172.8399 42 T 4.5298 7.5876 107.2103 61.7408 68.7849 174.6040 43 L 4.8844 8.0821 121.1054 54.8236 42.8982 176.9408 44 V 4.4173 7.6669 117.1340 59.3456 33.9738 173.3484 45 P 4.5089 0.0000 0.0000 61.1447 32.0044 174.3029 46 P 4.2835 0.0000 0.0000 63.4131 31.6590 175.5192 47 A 3.9381 9.0103 119.3878 52.6576 17.1510 179.7121 48 A 4.0561 8.2392 122.4742 56.7194 18.5932 179.7401 49 L 3.8628 7.9072 118.1819 58.5489 42.1260 178.8598 50 I 3.7214 7.9938 119.4927 64.1205 36.9185 178.2058 51 S 4.2698 7.7959 114.5136 61.2385 63.5979 176.2851 52 I 3.6700 7.4564 123.6823 63.9766 36.8207 178.2184 53 L 3.9124 7.7660 118.9190 57.9519 41.4126 179.0326 54 Q 3.9855 7.6411 119.1599 59.4977 28.7596 179.0916 55 K 4.1297 8.1949 119.3328 59.4025 32.0186 179.4702 56 G 3.7172 8.0303 105.8333 47.9699 0.0000 175.6817 57 L 4.0963 7.8786 120.5841 57.7725 41.6260 179.5222 58 Q 4.4048 7.8348 119.5908 58.4991 28.7254 178.0957 59 Y 4.0639 8.4561 121.0736 60.5158 38.8144 178.2067 60 V 3.7603 7.7701 119.2307 66.1357 31.5234 177.8301 61 E 3.9388 8.2811 118.0315 59.4747 28.8189 179.2893 62 A 3.9505 8.3759 121.1066 55.0866 18.1242 179.6006 63 E 3.8194 7.6702 116.2290 59.4493 29.6740 179.2461 64 I 3.8596 7.6035 119.7953 64.0579 37.0237 178.0078 65 S 4.4355 7.8238 112.6286 59.3479 63.4630 175.3275 66 I 3.9959 7.2988 117.4882 62.8214 37.9301 176.0059 *67 N 4.5069 7.6561 123.2740 52.6693 38.2215 179.4730 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 S 8.33 4.35 0.00 3.83 3.87 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 3 I 7.14 4.39 1.86 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 1.47 0.89 0.91 0.00 0.00 4 T 8.72 4.31 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 1.21 0.00 0.00 5 S 8.72 3.99 0.00 3.92 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 6 D 8.21 4.49 0.00 2.78 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 7 E 7.73 4.00 0.00 2.19 2.03 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 2.33 2.33 0.00 8 V 7.88 3.79 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 0.95 0.00 0.00 0.96 0.00 0.00 9 N 8.27 4.64 0.00 3.22 3.05 0.00 0.00 6.46 8.24 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 10 F 8.68 4.08 0.00 3.32 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 11 L 8.19 4.08 0.00 2.18 1.91 1.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.84 3.59 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 0.67 0.00 0.00 0.91 0.00 0.00 13 Y 8.71 4.28 0.00 3.30 3.06 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 14 R 8.73 3.67 0.00 2.14 2.06 0.00 3.28 0.00 0.00 3.05 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.02 0.00 15 Y 8.34 4.10 0.00 3.11 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 16 L 8.26 4.01 0.00 1.92 1.77 0.70 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 7.66 3.83 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.21 2.02 0.00 18 E 8.07 3.85 0.00 1.77 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 0.00 2.29 2.29 0.00 19 S 7.77 3.86 0.00 3.22 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 20 G 8.21 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.63 4.96 0.00 3.18 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 7.78 4.11 0.00 3.82 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 23 H 8.07 4.43 0.00 3.28 3.39 0.00 5.67 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 24 S 8.24 4.34 0.00 3.88 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 25 A 8.27 4.21 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 4.30 0.00 3.23 3.35 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 27 T 8.03 3.71 4.34 0.00 0.00 0.00 0.00 0.00 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 28 F 8.33 4.13 0.00 3.22 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 29 G 8.28 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 0.00 0.00 0.00 30 I 6.94 3.62 1.68 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 0.72 0.75 0.00 0.00 31 E 7.96 3.76 0.00 1.90 1.74 0.00 0.00 0.00 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 2.20 0.00 32 S 6.79 4.21 0.00 3.56 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 33 H 7.89 3.98 0.00 3.17 3.21 0.00 5.62 0.00 0.00 0.00 0.00 8.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.40 3.65 1.43 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 1.30 1.36 0.55 0.00 0.00 35 S 7.91 4.25 0.00 3.88 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 36 Q 7.60 4.28 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 37 S 7.38 4.24 0.00 3.88 3.89 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 38 N 8.53 4.70 0.00 2.69 2.73 0.00 0.00 6.94 7.94 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 39 I 7.06 4.27 1.06 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 1.30 0.81 0.55 0.00 0.00 40 N 8.47 4.46 0.00 2.67 2.66 0.00 0.00 7.06 7.91 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 41 G 8.83 3.86 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 0.00 0.00 0.00 42 T 7.59 4.53 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 1.25 0.00 0.00 43 L 8.08 4.88 0.00 1.64 1.61 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.67 4.42 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 1.02 0.00 0.00 0.98 0.00 0.00 45 P 0.00 4.51 0.00 2.09 2.04 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 46 P 0.00 4.28 0.00 2.04 2.00 0.00 3.84 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 2.04 2.11 0.00 47 A 9.01 3.94 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.24 4.06 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.91 3.86 0.00 1.95 1.69 0.88 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.99 3.72 1.94 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 1.69 0.59 0.98 0.00 0.00 51 S 7.80 4.27 0.00 4.04 4.12 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 52 I 7.46 3.67 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 1.52 1.03 0.89 0.00 0.00 53 L 7.77 3.91 0.00 2.00 1.69 0.93 0.70 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 54 Q 7.64 3.99 0.00 2.16 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 55 K 8.19 4.13 0.00 2.01 1.85 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.59 7.81 56 G 8.03 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.88 4.10 0.00 1.91 1.74 0.93 1.13 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 58 Q 7.83 4.40 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.48 2.24 0.00 59 Y 8.46 4.06 0.00 3.13 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 60 V 7.77 3.76 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 0.99 0.00 0.00 1.13 0.00 0.00 61 E 8.28 3.94 0.00 2.27 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 2.33 2.42 0.00 62 A 8.38 3.95 1.27 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 63 E 7.67 3.82 0.00 2.06 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 2.06 1.91 0.00 64 I 7.60 3.86 1.85 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 1.58 0.72 0.90 0.00 0.00 65 S 7.82 4.44 0.00 4.03 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.30 4.00 1.84 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 1.38 0.64 0.94 0.00 0.00 *67 N 7.66 4.51 0.00 2.44 2.66 0.00 0.00 6.81 7.42 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 * Residues marked with a * may have inaccurate shift predictions.