NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 875 P 5.3396 0.0000 0.0000 63.0567 32.8181 175.8054 876 T 4.2466 7.9710 111.0560 60.9950 70.6595 168.7574 877 V 4.3178 9.2197 127.2287 62.8618 33.3239 175.8223 878 I 4.7699 8.7455 127.5959 59.5039 41.0302 174.7932 879 K 4.7952 8.4758 123.4563 54.8858 34.6360 175.5941 880 V 5.0188 8.6893 123.6587 61.3329 34.6496 174.3248 881 Q 4.8747 8.6731 124.9207 55.0776 33.5875 170.2144 882 N 4.3354 8.1918 127.3546 52.4217 39.3827 172.0185 *884 P 4.2572 0.0000 0.0000 62.1705 32.4617 177.4122 885 F 4.3238 8.8405 121.3912 61.1639 39.4595 175.8437 886 T 4.1671 7.7957 108.9932 61.0971 68.8371 175.1423 887 V 4.3019 7.4727 120.9083 61.5147 32.2227 175.9212 888 S 4.7385 8.1828 115.0170 55.7356 67.4786 174.9549 889 I 3.6648 8.2719 123.2848 64.7904 36.8067 178.0961 890 D 4.3502 8.0581 118.0904 57.5182 41.1855 177.9339 891 E 3.9484 8.1932 119.0197 59.5076 29.1725 179.5195 892 I 3.8256 7.8127 119.8862 64.2350 36.9979 178.4340 893 L 4.2010 7.8679 119.0468 57.8749 41.6627 179.0103 894 D 4.5946 8.9765 119.3997 57.3737 40.5772 178.2989 895 F 4.0932 8.3158 120.3169 60.9336 39.4947 176.2366 896 F 4.9349 7.9414 114.7279 56.3146 39.2755 175.0352 897 Y 4.5538 7.6450 120.8551 59.4718 39.0495 175.5991 898 G 3.3596 7.8290 113.2967 45.6185 0.0000 173.6988 899 Y 4.3024 7.7218 114.9600 57.3074 38.4654 175.3580 900 Q 3.5413 8.0814 118.2600 56.7177 26.1618 174.3202 901 V 3.4079 7.7888 116.1008 61.7156 32.4663 176.3122 902 I 4.0829 8.7754 125.9911 60.1276 36.4898 175.3853 903 P 4.1119 0.0000 0.0000 65.2215 31.6105 177.5670 904 G 4.1140 7.9363 105.7287 44.8416 0.0000 173.9332 905 S 4.3777 8.2773 116.2111 58.7398 63.8535 174.9097 906 V 3.6911 7.6789 121.8873 62.8344 31.8031 174.6337 907 C 4.8863 8.4613 120.7787 56.2957 32.4821 172.3495 908 L 4.7005 8.4301 122.1629 53.0391 43.5394 176.1450 909 K 4.4705 8.4977 122.6143 56.0518 33.7576 175.5571 910 Y 5.0153 8.3231 120.0275 56.1234 42.0835 175.0789 911 N 4.7597 8.7966 120.1371 51.8616 38.7518 175.7363 912 E 3.4784 8.6739 117.3968 59.1795 29.4404 178.5071 913 K 4.1475 8.0376 116.0141 56.4859 32.6533 175.8570 914 G 3.4822 8.5802 109.0090 44.8945 0.0000 171.1355 *916 P 3.9914 0.0000 0.0000 63.1620 32.7257 177.7611 917 T 4.1487 8.0587 109.5186 61.8248 69.6406 175.8046 918 G 3.9045 8.2907 111.1043 45.1997 0.0000 172.2716 919 E 5.1590 7.5337 117.0714 54.6738 32.9697 174.7722 920 A 4.7000 8.3474 123.5698 51.6305 24.2698 175.2852 *922 V 3.9345 8.4572 113.1724 63.4432 33.2745 175.3481 923 A 5.2169 8.1003 127.1707 50.1908 22.3520 175.0388 924 F 5.1546 8.4760 117.1642 55.3694 42.5770 176.3262 925 E 4.1841 9.4576 121.4283 59.2134 30.0298 177.6953 926 S 4.7290 8.1570 110.8302 55.3584 66.6230 174.9795 927 R 4.4026 8.5469 122.5353 59.4005 29.8768 178.5089 928 D 4.3726 8.0618 118.1736 57.4682 40.8245 178.5029 929 E 4.0495 8.1823 118.5507 58.9478 29.5946 179.1833 930 A 2.5800 7.6325 120.8435 54.8142 18.4367 179.6644 931 T 3.6906 8.0663 114.4694 66.8638 68.4546 176.7144 932 A 4.0014 7.8302 122.2628 54.7683 18.0136 179.5227 933 A 2.7191 7.4578 119.4528 54.8274 18.4658 180.0090 934 V 3.6225 7.3304 116.2302 66.2134 31.4112 178.3385 935 I 3.6935 7.1914 117.5514 64.6223 37.0529 177.9503 936 D 4.4916 8.1100 118.5790 56.6298 40.9800 177.9725 937 L 4.2401 8.8495 118.5784 53.8151 42.2456 176.2076 938 N 4.4313 7.4091 117.6565 55.3241 39.2058 173.9957 939 D 4.5912 8.9942 123.3061 55.0663 39.4222 173.9562 940 R 4.5492 8.1751 119.2515 54.4254 31.5187 174.1210 941 P 5.1447 0.0000 0.0000 61.9405 33.1394 175.3183 942 I 4.3977 8.8524 121.1837 60.3280 40.3440 175.7217 943 G 3.6829 8.5367 115.7014 46.8407 0.0000 175.3820 944 S 4.3189 8.7900 119.6490 59.9449 62.9763 173.4595 945 R 4.8752 8.1255 119.3776 53.9899 34.7513 174.2460 946 K 4.7538 8.4941 120.0939 55.7886 33.6911 176.6008 947 V 4.2554 8.6985 125.7635 62.0590 33.6899 174.5475 948 K 5.0510 8.8245 123.6545 54.6646 34.5317 175.3755 949 L 5.2763 9.4077 125.4843 53.1768 44.5126 176.4208 950 S 4.5668 8.7643 117.5181 56.6483 66.0743 174.2882 951 G 4.2153 8.9636 114.4175 43.8880 0.0000 170.5036 952 P 4.7724 0.0000 0.0000 61.4002 32.0949 176.5079 953 S 4.2407 8.5967 112.6554 58.9105 62.1757 174.0128 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 875 P 0.00 5.34 0.00 2.10 2.23 0.00 3.35 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.83 0.00 876 T 7.97 4.25 4.27 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 1.22 0.00 0.00 877 V 9.22 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 1.01 0.00 0.00 0.93 0.00 0.00 878 I 8.75 4.77 2.11 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.88 0.96 0.00 0.00 879 K 8.48 4.80 0.00 1.71 1.71 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.37 7.81 880 V 8.69 5.02 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 0.97 0.00 0.00 1.18 0.00 0.00 881 Q 8.67 4.87 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 5.60 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 882 N 8.19 4.34 0.00 2.97 2.88 0.00 0.00 7.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *884 P 0.00 4.26 0.00 2.29 2.20 0.00 3.65 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 1.91 2.03 0.00 885 F 8.84 4.32 0.00 2.88 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 0.00 886 T 7.80 4.17 4.20 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 0.00 0.00 1.28 0.00 0.00 887 V 7.47 4.30 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 0.94 0.00 0.00 0.90 0.00 0.00 888 S 8.18 4.74 0.00 3.98 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 0.00 889 I 8.27 3.66 1.88 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 1.16 0.92 0.00 0.00 890 D 8.06 4.35 0.00 2.78 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 891 E 8.19 3.95 0.00 2.18 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 2.32 2.34 0.00 892 I 7.81 3.83 2.08 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 1.49 0.78 1.14 0.00 0.00 893 L 7.87 4.20 0.00 1.92 1.82 0.97 0.92 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 0.00 894 D 8.98 4.59 0.00 2.75 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 895 F 8.32 4.09 0.00 2.86 2.91 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 0.00 896 F 7.94 4.93 0.00 3.34 3.31 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 0.00 897 Y 7.64 4.55 0.00 2.97 3.09 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 0.00 898 G 7.83 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 899 Y 7.72 4.30 0.00 3.62 3.19 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 0.00 900 Q 8.08 3.54 0.00 2.63 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 7.09 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 901 V 7.79 3.41 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 0.85 0.00 0.00 0.77 0.00 0.00 902 I 8.78 4.08 1.84 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 1.49 0.60 0.89 0.00 0.00 903 P 0.00 4.11 0.00 2.19 2.18 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 904 G 7.94 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 905 S 8.28 4.38 0.00 3.86 3.94 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 0.00 906 V 7.68 3.69 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 0.00 907 C 8.46 4.89 0.00 3.10 2.96 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 0.00 908 L 8.43 4.70 0.00 1.54 1.37 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 909 K 8.50 4.47 0.00 1.75 1.66 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.38 7.81 910 Y 8.32 5.02 0.00 2.80 2.86 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 0.00 911 N 8.80 4.76 0.00 2.98 3.00 0.00 0.00 6.18 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 912 E 8.67 3.48 0.00 1.99 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 0.00 2.34 2.36 0.00 913 K 8.04 4.15 0.00 2.01 1.87 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.40 7.81 914 G 8.58 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *916 P 0.00 3.99 0.00 2.12 1.91 0.00 4.07 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 917 T 8.06 4.15 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 1.21 0.00 0.00 918 G 8.29 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 0.00 0.00 0.00 919 E 7.53 5.16 0.00 1.90 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 2.19 2.19 0.00 920 A 8.35 4.70 1.19 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 0.00 0.00 0.00 *922 V 8.46 3.93 1.73 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 0.13 0.00 0.00 0.88 0.00 0.00 923 A 8.10 5.22 1.16 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 0.00 0.00 924 F 8.48 5.15 0.00 2.96 2.95 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 0.00 925 E 9.46 4.18 0.00 2.09 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 0.00 2.64 2.62 0.00 926 S 8.16 4.73 0.00 3.99 3.92 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 0.00 927 R 8.55 4.40 0.00 1.89 1.96 0.00 3.22 0.00 0.00 3.28 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.55 0.00 928 D 8.06 4.37 0.00 2.74 2.69 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 0.00 0.00 0.00 0.00 929 E 8.18 4.05 0.00 2.07 2.19 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 2.34 2.33 0.00 930 A 7.63 2.58 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 0.00 931 T 8.07 3.69 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 1.16 0.00 0.00 932 A 7.83 4.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.46 2.72 0.80 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 0.00 0.00 934 V 7.33 3.62 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 1.05 0.00 0.00 0.99 0.00 0.00 935 I 7.19 3.69 1.84 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 1.64 0.90 0.90 0.00 0.00 936 D 8.11 4.49 0.00 2.65 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 937 L 8.85 4.24 0.00 1.59 1.28 0.54 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 938 N 7.41 4.43 0.00 2.91 2.76 0.00 0.00 7.18 7.79 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 0.00 939 D 8.99 4.59 0.00 2.88 2.79 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 0.00 0.00 0.00 0.00 940 R 8.18 4.55 0.00 2.06 1.90 0.00 3.28 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 941 P 0.00 5.14 0.00 2.15 2.04 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 942 I 8.85 4.40 1.63 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 -0.12 0.74 0.00 0.00 943 G 8.54 3.68 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 0.00 0.00 0.00 944 S 8.79 4.32 0.00 3.89 3.94 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 0.00 945 R 8.13 4.88 0.00 1.68 1.74 0.00 3.11 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 946 K 8.49 4.75 0.00 1.95 1.84 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.37 7.81 947 V 8.70 4.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.79 0.00 0.00 948 K 8.82 5.05 0.00 1.70 1.69 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.53 7.81 949 L 9.41 5.28 0.00 1.54 1.70 1.24 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 950 S 8.76 4.57 0.00 3.75 3.74 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 0.00 0.00 0.00 951 G 8.96 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 0.00 0.00 0.00 952 P 0.00 4.77 0.00 2.18 2.06 0.00 3.34 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.86 0.00 953 S 8.60 4.24 0.00 3.85 3.81 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 * Residues marked with a * may have inaccurate shift predictions.