NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 896 N 4.7008 8.3829 117.7894 52.4865 39.9257 176.8711 897 V 3.7792 7.6498 119.5418 65.0602 31.8362 178.5758 898 L 4.6853 7.9259 121.1298 57.6925 41.5096 179.8214 *899 Y 4.5281 7.7963 122.9946 62.6201 37.2067 182.5970 900 E 4.2956 7.9792 118.6256 60.5068 29.8256 182.5211 901 N 4.7158 7.9439 120.2907 58.4957 37.3668 182.9910 902 Q 4.3065 7.8389 122.4790 59.5685 28.4375 182.1463 903 K 4.4935 7.8993 124.2344 59.3168 31.5924 184.9845 904 Q 4.3451 7.9173 122.4891 61.7510 28.2371 184.2304 905 I 3.9627 7.2839 121.9413 65.1282 35.4090 180.0239 906 A 4.3146 7.7136 125.1899 55.7038 18.1087 180.1758 907 N 4.3956 7.8799 116.5206 57.6063 37.5333 179.4323 908 Q 4.1602 7.8636 118.9131 59.0312 29.1489 178.1127 909 F 4.0285 8.2579 121.5662 61.4895 39.3485 176.9076 910 N 4.3515 8.5062 118.8543 57.3754 38.7555 177.8084 911 K 4.0200 7.8787 124.7843 59.6469 31.7450 180.7923 912 A 4.1765 8.3424 121.8752 55.1101 18.2281 179.8421 913 I 3.4871 7.3707 117.9832 64.3346 36.9075 178.5867 914 S 4.0441 7.7716 113.7197 61.4254 62.1701 176.2849 915 Q 3.9868 7.7852 120.8382 58.8271 28.4103 178.6894 916 I 3.7360 7.7765 120.9916 64.3537 37.0316 178.3696 917 Q 3.9812 8.3322 119.3143 58.9831 28.5024 178.6490 918 E 3.9546 7.9878 120.7350 59.1645 29.7004 179.0047 919 S 4.1640 8.0278 114.4711 61.3473 63.0034 176.5703 920 L 4.0305 7.9689 122.9729 57.7037 41.4143 179.4106 921 T 4.0147 7.7645 109.8414 64.7542 68.8410 177.1572 922 T 3.8641 7.9494 118.7601 66.7843 68.4151 176.7554 923 T 3.8641 7.9701 117.6578 66.7037 68.4783 176.6198 924 S 4.0716 8.1106 115.0045 61.6620 62.3897 176.4003 925 T 3.8621 8.0294 118.2461 66.4838 68.2185 176.5867 926 A 3.9876 8.0989 122.6798 55.2254 18.3555 179.6966 927 L 4.0713 8.2705 117.8632 57.8281 41.6604 180.0346 928 G 3.5980 8.1806 105.7521 47.7131 0.0000 175.9969 929 K 4.0317 8.1112 120.9741 59.0951 32.0097 179.5043 930 L 3.9625 7.9945 119.2919 57.7734 41.5417 179.2214 931 Q 3.9601 8.3862 119.8277 59.3324 28.9170 178.1986 932 D 4.3316 8.0967 119.7406 57.4651 40.8191 179.0763 933 V 3.5649 7.7329 118.6310 65.8161 31.4859 178.0417 934 V 3.5702 8.1303 118.4748 66.3536 31.2762 177.8571 935 N 4.4248 8.5013 118.5453 56.8099 38.2909 178.1042 *936 Q 4.0182 8.2824 122.3151 60.4549 28.1800 180.9155 937 N 4.5500 8.5420 118.5605 55.6102 38.4440 177.5119 938 A 3.9602 8.1966 122.6364 55.1638 18.4356 179.2801 939 Q 3.8674 8.2664 117.9277 59.3330 29.0354 178.3146 940 A 3.9621 8.1611 121.8204 55.2035 18.3307 179.3438 941 L 3.8788 8.0627 118.6711 58.4869 42.2158 178.9657 942 N 4.3364 8.5155 116.7615 56.5280 38.4361 177.5443 943 T 3.8530 8.1824 117.4093 66.4076 68.4625 176.1645 944 L 3.9071 8.0792 122.4184 58.3959 42.0042 179.2483 945 V 3.5776 7.9861 118.0875 65.6950 31.4238 177.6687 946 K 3.8648 8.1181 119.3364 59.8918 32.0323 178.7996 947 Q 3.9935 8.1568 118.0800 58.8815 28.5019 178.7838 948 L 3.7224 8.2040 120.3958 57.8348 41.6101 179.7881 949 S 4.2563 8.4096 115.4256 61.4210 62.7326 176.5520 950 S 4.0757 8.1574 115.9132 61.6675 62.0694 176.1389 951 N 4.3234 8.2161 119.1005 56.2970 38.1236 177.5260 952 F 4.6374 8.4621 119.6680 60.1347 38.9431 178.0052 953 G 3.6469 8.2924 105.5456 47.7608 0.0000 175.5585 954 A 4.0248 7.9514 123.7092 54.7858 18.3460 179.6821 955 I 3.6478 8.0638 118.5759 64.5743 37.1673 178.2923 956 S 4.0947 8.3381 114.1274 61.6673 62.1819 176.2138 957 S 4.0649 8.0924 115.4211 61.4483 62.0630 176.3176 958 V 3.6054 7.9939 120.9392 65.9373 31.2791 177.8920 959 L 3.9885 8.2034 118.9975 58.0251 41.4685 179.3316 960 N 4.3508 8.4051 116.4831 56.1658 38.4437 177.0160 961 D 4.2961 8.1899 119.4313 57.4407 41.2977 178.2481 962 I 3.7128 8.0026 120.5644 64.4889 37.0266 178.4347 963 L 3.9745 8.0661 119.7018 57.8516 41.5199 179.5479 964 S 4.0882 8.2494 113.1313 61.3988 62.3237 176.4859 965 R 3.9399 8.1442 120.8237 59.2381 29.8199 179.0814 966 L 4.0162 8.2761 119.1593 57.6209 41.6006 178.9552 967 D 4.3679 8.3708 119.3475 57.5487 40.4194 179.0997 968 K 3.9533 7.9587 119.6247 59.5348 31.9909 179.0663 969 V 3.6482 7.6189 117.5161 65.6993 31.4725 177.4323 970 E 4.1732 8.0739 117.5015 58.5433 29.5761 178.1060 971 A 4.3169 7.9938 121.4483 53.7241 18.8028 177.7779 972 E 4.2569 7.6960 117.7521 55.8156 30.5725 181.3495 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 896 N 8.38 4.70 0.00 2.67 2.89 0.00 0.00 6.88 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 897 V 7.65 3.78 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 0.72 0.00 0.00 0.93 0.00 0.00 898 L 7.93 4.69 0.00 1.74 1.59 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 *899 Y 7.80 4.53 0.00 2.31 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 0.00 0.00 0.00 0.00 900 E 7.98 4.30 0.00 2.01 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 2.23 2.19 0.00 901 N 7.94 4.72 0.00 2.73 2.85 0.00 0.00 6.99 7.17 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 0.00 902 Q 7.84 4.31 0.00 1.89 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.72 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 903 K 7.90 4.49 0.00 1.75 1.83 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.41 1.06 7.81 904 Q 7.92 4.35 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.70 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 905 I 7.28 3.96 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 1.45 0.53 0.91 0.00 0.00 906 A 7.71 4.31 1.43 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 0.00 0.00 907 N 7.88 4.40 0.00 2.80 2.84 0.00 0.00 7.08 6.98 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 0.00 908 Q 7.86 4.16 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.69 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 909 F 8.26 4.03 0.00 3.22 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 0.00 910 N 8.51 4.35 0.00 3.22 2.83 0.00 0.00 7.29 5.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 911 K 7.88 4.02 0.00 1.76 1.80 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.33 7.81 912 A 8.34 4.18 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 0.00 913 I 7.37 3.49 1.78 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.19 0.79 0.00 0.00 914 S 7.77 4.04 0.00 4.01 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 0.00 915 Q 7.79 3.99 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.60 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 916 I 7.78 3.74 1.90 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.57 0.86 0.00 0.00 917 Q 8.33 3.98 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 918 E 7.99 3.95 0.00 2.15 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 2.29 2.30 0.00 919 S 8.03 4.16 0.00 4.09 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 0.00 920 L 7.97 4.03 0.00 1.87 1.74 0.91 0.66 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 0.00 921 T 7.76 4.01 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 1.25 0.00 0.00 922 T 7.95 3.86 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 1.20 0.00 0.00 923 T 7.97 3.86 4.38 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 0.00 0.00 0.00 1.21 0.00 0.00 924 S 8.11 4.07 0.00 3.96 4.01 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 0.00 0.00 0.00 925 T 8.03 3.86 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 0.00 926 A 8.10 3.99 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 0.00 927 L 8.27 4.07 0.00 1.83 1.73 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 928 G 8.18 3.60 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 0.00 0.00 0.00 929 K 8.11 4.03 0.00 1.96 1.87 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.60 7.81 930 L 7.99 3.96 0.00 1.85 1.71 0.92 0.61 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 0.00 931 Q 8.39 3.96 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 932 D 8.10 4.33 0.00 2.95 2.70 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 0.00 933 V 7.73 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 1.07 0.00 0.00 0.98 0.00 0.00 934 V 8.13 3.57 2.17 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 1.05 0.00 0.00 0.95 0.00 0.00 935 N 8.50 4.42 0.00 2.86 2.84 0.00 0.00 7.19 7.60 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 *936 Q 8.28 4.02 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 937 N 8.54 4.55 0.00 2.77 2.89 0.00 0.00 6.93 7.85 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 0.00 938 A 8.20 3.96 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 0.00 939 Q 8.27 3.87 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 940 A 8.16 3.96 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 0.00 941 L 8.06 3.88 0.00 1.86 1.83 0.93 0.55 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 0.00 942 N 8.52 4.34 0.00 2.75 2.85 0.00 0.00 7.08 6.88 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 0.00 943 T 8.18 3.85 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 1.20 0.00 0.00 944 L 8.08 3.91 0.00 1.81 1.87 0.89 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 945 V 7.99 3.58 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 1.05 0.00 0.00 0.97 0.00 0.00 946 K 8.12 3.86 0.00 1.87 1.97 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.49 7.81 947 Q 8.16 3.99 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 948 L 8.20 3.72 0.00 1.65 1.55 0.93 0.82 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 0.00 949 S 8.41 4.26 0.00 4.02 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 0.00 950 S 8.16 4.08 0.00 3.89 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 951 N 8.22 4.32 0.00 2.58 2.63 0.00 0.00 7.10 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 952 F 8.46 4.64 0.00 3.08 2.92 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 0.00 0.00 0.00 953 G 8.29 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 954 A 7.95 4.02 1.39 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 0.00 0.00 0.00 955 I 8.06 3.65 2.07 0.00 0.00 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 1.44 0.78 1.00 0.00 0.00 956 S 8.34 4.09 0.00 3.96 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 0.00 957 S 8.09 4.06 0.00 4.00 3.97 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 0.00 0.00 0.00 958 V 7.99 3.61 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 1.08 0.00 0.00 1.00 0.00 0.00 959 L 8.20 3.99 0.00 1.86 1.71 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 960 N 8.41 4.35 0.00 2.93 2.87 0.00 0.00 6.69 7.96 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 0.00 961 D 8.19 4.30 0.00 2.88 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 0.00 962 I 8.00 3.71 2.00 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 1.53 0.65 0.91 0.00 0.00 963 L 8.07 3.97 0.00 1.84 1.71 0.92 0.67 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 0.00 964 S 8.25 4.09 0.00 3.98 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 0.00 965 R 8.14 3.94 0.00 2.11 1.96 0.00 3.29 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 966 L 8.28 4.02 0.00 1.86 1.71 0.92 1.23 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 0.00 967 D 8.37 4.37 0.00 2.87 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 0.00 968 K 7.96 3.95 0.00 1.95 1.91 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.44 7.81 969 V 7.62 3.65 2.27 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 0.89 0.00 0.00 0.96 0.00 0.00 970 E 8.07 4.17 0.00 2.20 1.99 0.00 0.00 0.00 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 2.44 0.00 971 A 7.99 4.32 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 0.00 972 E 7.70 4.26 0.00 1.97 1.68 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 2.14 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.