NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 896 K 4.2811 8.3149 119.9955 55.9090 34.7363 175.4127 897 L 4.0738 7.6932 121.4392 54.5278 42.5659 174.4870 898 K 5.2038 8.3416 122.5768 54.0277 35.5443 175.4294 899 E 4.2706 8.8114 121.5415 56.7485 30.6082 177.1485 900 K 4.4202 8.1313 117.9770 54.4784 33.4349 176.3893 901 E 4.3172 8.3900 122.8954 55.5080 30.4037 176.3937 902 N 4.6614 8.5227 120.5713 53.3510 39.7175 174.7773 903 N 5.5411 8.7228 123.4064 51.7943 37.7664 175.2469 904 D 4.8354 8.8279 118.1162 56.0200 41.6830 176.6108 905 S 4.8998 7.5579 113.5864 56.2193 66.4560 175.1182 906 S 3.2229 7.9495 115.8423 60.6866 62.8343 176.1572 907 D 4.3356 7.7857 119.4550 55.2272 39.3098 176.9615 908 K 4.4628 7.9012 118.4897 55.7650 32.5596 175.4295 909 A 4.5054 7.6341 121.1516 52.6845 19.2524 178.2888 910 T 4.1752 8.7235 118.7775 63.0006 69.7385 174.5322 911 V 4.2194 8.5263 127.2490 63.0489 32.3660 175.3387 912 I 4.3945 8.8664 129.8790 59.2518 37.3594 174.9554 913 P 4.3976 0.0000 0.0000 65.0089 31.6772 176.3374 914 N 4.8218 7.1605 114.5895 51.2111 42.6440 174.1252 915 F 4.2728 8.2099 119.0916 57.9016 39.8139 174.3929 916 N 4.3484 8.8023 116.8788 54.8109 36.3965 175.4392 917 T 4.5219 7.5650 112.2337 61.9398 72.0540 174.1696 918 T 4.3100 8.5660 123.8150 63.6647 69.3754 173.8228 919 M 4.7663 9.1422 126.7201 53.8082 34.6391 174.9843 920 Q 4.7584 9.1260 123.1470 54.7943 31.0614 175.1883 921 G 4.2693 8.1168 109.6936 45.2006 0.0000 171.2014 922 S 5.0850 9.3956 113.7382 56.6445 66.3141 174.5077 923 L 5.1892 8.9285 120.4220 51.8340 42.1115 174.3301 924 L 4.5052 7.9232 120.7760 53.1171 43.8969 176.8777 925 G 3.7693 8.9330 112.8321 47.1460 0.0000 174.3815 926 D 4.5141 8.7550 124.4040 53.5092 39.7957 176.3047 927 D 4.5984 8.0950 121.4690 54.0678 40.1530 176.0156 928 S 5.0140 8.5382 120.4185 58.1201 65.0679 173.7747 929 R 5.1962 7.9502 119.0166 54.8508 34.0517 174.1790 930 D 5.1738 9.4427 122.9606 51.7006 44.3607 174.3561 931 Y 4.9362 9.0954 122.7918 57.4897 39.6776 174.6931 932 Y 5.5931 9.7819 120.8713 56.3636 42.6245 174.4728 933 S 5.3071 9.1936 114.5321 57.1566 67.0594 172.7272 934 F 5.2027 8.4627 114.8007 55.9743 41.6625 172.5447 935 E 5.1818 8.7306 118.4335 54.6372 32.4377 175.6288 936 V 4.5262 9.2231 125.1505 62.0931 32.5249 176.5718 937 K 4.4388 9.0636 126.3605 56.9280 33.5320 176.3400 938 E 4.7369 7.8402 116.9925 53.9029 32.9006 175.3610 939 E 4.1718 9.2039 125.4261 56.6040 30.5288 176.1022 940 G 3.9342 8.0805 112.0748 46.1203 0.0000 171.2760 941 E 4.7233 8.6883 119.7863 55.9483 30.2624 176.8667 942 V 4.3256 8.8785 124.8483 60.9614 34.5636 173.8086 943 N 5.2671 9.1219 126.9118 51.9625 40.8903 172.9605 944 I 4.3866 8.2783 128.2925 60.5111 38.7559 175.1190 945 E 5.0047 9.1061 126.4832 54.5437 33.1366 174.2738 946 L 5.0358 9.1697 127.5761 53.2903 44.6766 174.3355 947 D 5.2963 9.1462 126.5812 52.3621 43.2101 175.1702 948 K 4.6514 9.1384 127.1931 56.5904 32.2559 177.4763 949 K 4.5077 9.3823 124.0608 57.0291 32.9777 176.2513 950 D 5.0047 8.0554 118.2005 52.2130 45.2122 175.0985 951 E 4.2679 8.8845 121.0376 56.3358 29.7854 176.0886 952 F 4.6539 8.4088 117.7412 56.2989 41.1675 173.6719 953 G 3.1613 8.7412 106.8758 43.6233 0.0000 173.2771 954 V 4.4076 7.1274 125.0970 59.9158 34.7293 175.1178 955 T 4.4636 8.0554 116.1743 61.6326 70.7290 171.8245 956 W 5.8801 7.9204 115.0854 56.1602 31.9820 173.6805 957 T 5.4069 9.6790 117.3448 62.1969 72.1087 172.6445 958 L 5.5832 9.8814 129.3633 53.9874 44.5257 174.7518 959 H 5.4559 9.3427 120.1591 53.5754 32.2497 171.1622 960 P 4.4131 0.0000 0.0000 62.4118 31.7403 175.9558 961 E 4.2759 8.3478 122.0731 58.2123 30.0466 179.4314 962 S 4.5435 8.0002 118.6596 58.6906 62.6419 176.6595 *966 D 4.3648 8.4953 123.2359 53.9151 40.5201 175.9067 967 R 4.1811 7.7698 121.2130 56.4913 30.3602 175.2542 968 I 4.9463 8.0293 125.5179 59.9120 41.1648 175.0045 969 T 4.5226 9.0255 122.5991 61.9204 72.0366 172.5229 970 Y 5.1092 8.2921 122.8934 55.8926 40.4110 175.9891 971 G 2.1690 7.4665 110.2187 45.7558 0.0000 173.0432 972 Q 4.5215 8.3919 121.4138 53.6459 30.7452 175.2692 973 V 4.1047 8.1909 125.3150 62.7684 32.5737 175.6079 974 D 4.5371 9.1777 127.7148 53.1646 43.0056 176.4370 975 G 3.7744 8.0332 118.8030 46.7886 0.0000 171.8888 976 N 4.7789 8.8356 122.9267 52.1525 37.5588 173.7170 977 K 5.1379 7.9822 118.6355 54.9358 35.7085 175.4129 978 V 4.8753 8.9476 123.1980 61.4997 34.3212 174.4694 979 S 5.5931 8.8359 123.0853 57.5273 67.9831 172.4478 980 N 4.9433 8.8596 118.2290 53.1399 43.0980 172.8370 981 K 5.2743 8.7699 123.3316 54.5224 34.9344 175.5445 982 V 4.5552 8.7697 126.2212 59.9234 35.1999 174.0011 983 K 4.7096 8.7336 125.4750 55.8276 32.9688 175.5418 984 L 4.8735 8.8343 127.7979 52.9864 44.6620 176.5777 985 R 4.6647 8.6774 121.4619 54.6943 31.5787 174.5188 986 P 4.4783 0.0000 0.0000 62.4664 32.1661 176.8290 987 G 4.0014 7.8851 110.7385 44.4994 0.0000 170.7226 988 K 4.7170 7.4545 120.5366 55.0869 34.1528 174.8677 989 Y 4.7186 8.2841 123.4516 56.1790 42.2096 173.7763 990 Y 5.2094 8.7952 120.1451 56.1804 41.1896 174.5786 991 L 5.2150 9.7570 125.9790 53.4432 45.1373 174.8085 992 L 4.4215 9.2696 130.5578 53.6020 43.6406 175.1595 993 V 4.8704 8.8952 128.1575 61.8360 33.0077 174.2796 994 Y 5.4646 8.7290 125.3163 55.4288 41.7419 174.0435 995 K 4.8916 8.9458 120.1649 55.5735 34.8251 175.4883 996 Y 5.0397 8.1836 118.1632 56.8492 39.0795 175.3521 997 S 4.4326 7.7983 113.3339 58.6589 66.0408 176.3686 998 G 4.3918 9.0437 109.3757 45.9880 0.0000 172.6994 999 S 4.5322 7.8341 114.4232 57.2304 67.3474 173.8420 1000 G 3.1755 6.8881 108.3775 46.1608 0.0000 171.5746 1001 N 5.5648 8.8276 117.6028 52.2573 41.1042 174.2598 1002 Y 5.4381 8.5038 118.5010 56.1639 42.3241 173.2229 1003 E 5.2532 9.4501 118.9228 54.4899 33.5766 175.0452 1004 L 5.2452 9.0537 124.2810 53.4531 45.6558 175.4135 1005 R 4.8783 8.9763 123.8789 54.4338 34.7690 174.6896 1006 V 4.1711 8.0715 122.4375 61.2711 32.7680 173.9530 1007 N 5.1502 9.0417 126.2312 52.5169 40.2602 175.7802 1008 K 3.8841 8.8862 122.6101 56.8441 32.4744 175.5109 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 K 8.31 4.28 0.00 1.87 1.99 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.47 7.81 897 L 7.69 4.07 0.00 1.86 1.65 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 898 K 8.34 5.20 0.00 1.61 1.69 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.55 7.81 899 E 8.81 4.27 0.00 1.97 2.18 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 2.49 2.33 0.00 900 K 8.13 4.42 0.00 1.73 1.76 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.42 7.81 901 E 8.39 4.32 0.00 1.96 1.88 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 0.00 2.32 2.25 0.00 902 N 8.52 4.66 0.00 2.69 2.73 0.00 0.00 6.80 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 0.00 903 N 8.72 5.54 0.00 3.07 3.06 0.00 0.00 6.85 7.74 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 0.00 904 D 8.83 4.84 0.00 2.81 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 0.00 905 S 7.56 4.90 0.00 3.87 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 0.00 906 S 7.95 3.22 0.00 2.72 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 0.00 907 D 7.79 4.34 0.00 2.74 2.74 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 0.00 908 K 7.90 4.46 0.00 1.93 1.99 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.34 1.32 7.81 909 A 7.63 4.51 1.48 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 0.00 910 T 8.72 4.18 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 1.33 0.00 0.00 911 V 8.53 4.22 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 0.79 0.00 0.00 0.96 0.00 0.00 912 I 8.87 4.39 1.87 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.96 0.79 0.00 0.00 913 P 0.00 4.40 0.00 2.15 2.17 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 914 N 7.16 4.82 0.00 2.72 2.67 0.00 0.00 7.03 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 0.00 915 F 8.21 4.27 0.00 3.02 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 0.00 916 N 8.80 4.35 0.00 2.85 2.87 0.00 0.00 6.74 8.09 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 0.00 917 T 7.57 4.52 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 918 T 8.57 4.31 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 1.19 0.00 0.00 919 M 9.14 4.77 0.00 1.90 1.81 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 920 Q 9.13 4.76 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.53 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 921 G 8.12 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 0.00 0.00 0.00 0.00 922 S 9.40 5.09 0.00 3.76 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 923 L 8.93 5.19 0.00 1.81 1.85 1.04 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 924 L 7.92 4.51 0.00 1.56 1.52 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 925 G 8.93 3.77 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 0.00 0.00 0.00 926 D 8.75 4.51 0.00 2.80 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 0.00 927 D 8.09 4.60 0.00 2.85 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 928 S 8.54 5.01 0.00 4.02 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 0.00 929 R 7.95 5.20 0.00 1.71 1.85 0.00 3.17 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 930 D 9.44 5.17 0.00 2.75 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.10 4.94 0.00 3.15 2.81 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 0.00 932 Y 9.78 5.59 0.00 3.06 2.97 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 0.00 933 S 9.19 5.31 0.00 3.56 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 0.00 934 F 8.46 5.20 0.00 2.86 2.99 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 0.00 0.00 0.00 935 E 8.73 5.18 0.00 1.86 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 2.14 2.20 0.00 936 V 9.22 4.53 2.53 0.00 0.00 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 1.25 0.00 0.00 937 K 9.06 4.44 0.00 1.86 1.89 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.57 7.81 938 E 7.84 4.74 0.00 1.76 1.79 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 2.21 2.29 0.00 939 E 9.20 4.17 0.00 1.99 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 2.29 2.51 0.00 940 G 8.08 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 0.00 941 E 8.69 4.72 0.00 1.81 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 2.28 2.22 0.00 942 V 8.88 4.33 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 0.88 0.00 0.00 0.76 0.00 0.00 943 N 9.12 5.27 0.00 2.79 2.62 0.00 0.00 6.93 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 0.00 944 I 8.28 4.39 1.31 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.18 -0.29 0.00 0.00 945 E 9.11 5.00 0.00 1.80 1.82 0.00 0.00 0.00 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 2.37 0.00 946 L 9.17 5.04 0.00 1.77 1.79 0.67 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 947 D 9.15 5.30 0.00 2.75 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 948 K 9.14 4.65 0.00 1.69 2.08 0.00 1.69 0.00 0.00 1.51 0.00 0.00 2.74 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.48 7.81 949 K 9.38 4.51 0.00 1.77 1.88 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.61 1.47 7.81 950 D 8.06 5.00 0.00 2.47 2.50 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 0.00 0.00 0.00 951 E 8.88 4.27 0.00 2.00 1.94 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 2.35 2.34 0.00 952 F 8.41 4.65 0.00 2.99 2.88 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 0.00 0.00 0.00 0.00 953 G 8.74 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 0.00 0.00 0.00 954 V 7.13 4.41 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 0.00 0.00 -0.12 0.00 0.00 0.60 0.00 0.00 955 T 8.06 4.46 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 0.77 0.00 0.00 956 W 7.92 5.88 0.00 3.58 3.08 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 0.00 0.00 0.00 0.00 957 T 9.68 5.41 4.51 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 958 L 9.88 5.58 0.00 2.10 1.99 1.19 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 959 H 9.34 5.46 0.00 3.42 3.45 0.00 5.32 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 960 P 0.00 4.41 0.00 2.05 1.87 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.19 0.00 961 E 8.35 4.28 0.00 1.78 1.84 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 2.35 2.47 0.00 962 S 8.00 4.54 0.00 3.86 3.13 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 *966 D 8.50 4.36 0.00 2.72 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 967 R 7.77 4.18 0.00 1.80 1.95 0.00 3.23 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 968 I 8.03 4.95 1.65 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.04 0.60 0.00 0.00 969 T 9.03 4.52 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 970 Y 8.29 5.11 0.00 2.66 2.52 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 0.00 971 G 7.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 972 Q 8.39 4.52 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.96 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 973 V 8.19 4.10 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 0.72 0.00 0.00 0.85 0.00 0.00 974 D 9.18 4.54 0.00 2.64 2.47 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 0.00 975 G 8.03 3.77 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 0.00 0.00 0.00 976 N 8.84 4.78 0.00 2.98 3.06 0.00 0.00 5.76 7.20 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 0.00 977 K 7.98 5.14 0.00 1.70 1.74 0.00 1.82 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.50 7.81 978 V 8.95 4.88 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 0.77 0.00 0.00 0.92 0.00 0.00 979 S 8.84 5.59 0.00 3.84 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 0.00 980 N 8.86 4.94 0.00 2.91 3.01 0.00 0.00 6.93 6.12 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 0.00 981 K 8.77 5.27 0.00 1.78 1.66 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.38 7.81 982 V 8.77 4.56 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 0.83 0.00 0.00 0.96 0.00 0.00 983 K 8.73 4.71 0.00 2.06 1.76 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.45 7.81 984 L 8.83 4.87 0.00 1.45 1.25 0.44 0.55 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 0.00 985 R 8.68 4.66 0.00 1.79 1.91 0.00 3.26 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 986 P 0.00 4.48 0.00 1.97 2.11 0.00 3.81 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 2.06 2.15 0.00 987 G 7.89 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 0.00 0.00 0.00 988 K 7.45 4.72 0.00 1.64 1.51 0.00 1.48 0.00 0.00 1.55 0.00 0.00 2.51 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.77 1.22 7.81 989 Y 8.28 4.72 0.00 1.43 2.31 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 0.00 990 Y 8.80 5.21 0.00 2.80 3.03 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 0.00 991 L 9.76 5.21 0.00 1.97 1.82 0.77 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 992 L 9.27 4.42 0.00 0.78 1.60 0.44 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 993 V 8.90 4.87 2.35 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 0.49 0.00 0.00 1.00 0.00 0.00 994 Y 8.73 5.46 0.00 3.23 2.97 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 0.00 995 K 8.95 4.89 0.00 1.92 1.96 0.00 1.87 0.00 0.00 2.06 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.61 1.45 7.81 996 Y 8.18 5.04 0.00 2.88 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 0.00 997 S 7.80 4.43 0.00 3.90 4.02 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 0.00 0.00 0.00 998 G 9.04 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 0.00 0.00 0.00 0.00 999 S 7.83 4.53 0.00 3.59 3.52 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 1000 G 6.89 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 0.00 0.00 0.00 1001 N 8.83 5.56 0.00 2.73 2.68 0.00 0.00 6.97 7.25 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 1002 Y 8.50 5.44 0.00 3.22 3.21 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 1003 E 9.45 5.25 0.00 1.93 1.85 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 2.17 2.21 0.00 1004 L 9.05 5.25 0.00 1.76 1.32 0.62 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 1005 R 8.98 4.88 0.00 1.67 1.80 0.00 3.11 0.00 0.00 3.07 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.50 0.00 1006 V 8.07 4.17 1.65 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 0.38 0.00 0.00 0.37 0.00 0.00 1007 N 9.04 5.15 0.00 2.75 2.67 0.00 0.00 6.20 7.23 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 1008 K 8.89 3.88 0.00 1.08 1.22 0.00 0.61 0.00 0.00 0.69 0.00 0.00 2.64 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.00 1.13 7.81 * Residues marked with a * may have inaccurate shift predictions.