NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 901 N 4.7287 8.4244 118.2188 52.5567 39.4278 174.8186 902 Q 4.3503 7.7709 118.9509 53.7257 31.0450 174.0295 903 K 4.6134 8.7046 117.6381 57.0135 33.8451 177.0638 904 Q 4.5309 7.9746 114.2339 56.8497 33.2549 175.5693 905 I 4.0712 7.5455 119.6013 62.8142 37.5945 177.0387 906 A 3.9828 8.0824 121.5783 55.9410 18.2309 178.4609 907 N 4.2615 8.3359 113.5532 57.1031 38.5828 177.0316 908 Q 3.6422 8.3809 115.1312 59.2561 28.8580 179.6451 909 F 3.6953 8.3917 125.0409 60.2073 40.3706 177.5121 910 N 4.3202 10.1992 111.8969 56.0302 38.0813 177.2160 911 K 3.9652 5.6600 126.7547 60.4322 32.8339 177.1660 912 A 3.9165 7.8531 119.7040 55.2422 18.4523 179.0340 913 I 3.8439 9.0151 117.2170 63.9543 38.5307 177.9700 914 S 5.0885 7.8477 114.7312 62.0036 62.1946 176.0157 915 Q 4.0438 8.0572 120.7366 58.6620 28.5433 178.3167 916 I 3.1797 7.8507 120.6299 65.0264 36.7427 178.3779 917 Q 4.0806 7.7853 117.8729 58.0238 28.2593 177.6832 918 E 4.9013 8.8763 120.4797 57.1550 30.3875 178.4797 919 S 4.5224 8.0470 119.7902 61.6734 62.7790 176.8973 920 L 4.3180 7.6873 122.5743 58.6380 40.9784 180.9482 921 T 4.2129 7.4604 113.4653 67.6434 68.1684 176.4901 922 T 3.8943 9.5621 117.4291 67.4703 68.7147 176.6749 923 T 3.9917 8.1861 117.3382 66.5772 68.1215 176.9996 924 S 4.2912 7.8813 116.7073 61.2825 63.0325 176.1002 925 T 3.8755 8.7792 118.0201 64.9543 67.8627 177.5452 926 A 3.3004 6.7926 122.6920 52.8376 19.5902 180.0472 927 L 3.9714 7.4982 118.7109 58.6523 41.6527 182.0345 928 G 3.8486 9.8564 106.1197 47.6782 0.0000 175.5466 929 K 3.8910 8.4793 121.6462 59.2873 31.9776 179.0807 930 L 4.0689 7.3613 114.3960 56.5974 41.3812 178.9600 931 Q 4.1554 7.7155 119.8211 59.3658 29.5210 176.3519 932 D 4.3432 8.9773 120.8599 55.3835 40.4629 179.4388 933 V 3.6964 7.3045 118.6923 66.1156 32.9324 178.1603 934 V 3.5114 7.4540 118.3764 66.1427 31.1066 177.3064 935 N 4.7290 9.3937 118.5166 54.8861 38.4852 176.4080 936 Q 4.8002 8.2975 121.8894 57.0976 29.2668 181.0802 937 N 4.9914 7.8254 117.0570 55.1397 41.9101 176.9210 938 A 3.9614 8.0629 119.6640 55.7831 18.2741 178.1931 939 Q 3.9867 8.3717 118.4493 57.4831 28.5800 177.9966 940 A 3.9497 7.9016 124.1372 53.6850 19.2453 179.0473 941 L 3.6983 9.8638 111.0276 58.4948 41.7442 180.3792 942 N 3.9948 6.0449 126.4602 57.3482 40.0064 174.0074 943 T 3.8952 8.2029 116.3431 66.6943 68.7483 175.9766 944 L 4.0549 9.5684 122.0670 58.2381 41.9924 178.8128 945 V 3.5768 7.3774 116.9631 66.1330 31.5228 177.3847 946 K 4.1514 8.0764 117.4090 58.8575 32.0632 177.5249 947 Q 4.3908 7.8949 116.3652 55.6788 28.8685 175.3561 *1152 G 3.7500 7.8088 106.4346 45.6918 0.0000 172.4909 1153 I 4.4076 7.5643 119.0382 59.6323 39.2162 175.5106 1154 N 4.1560 8.0788 116.3560 52.8523 41.1825 173.8958 1155 A 4.1764 8.7657 130.0209 51.9877 19.2054 176.4894 1156 S 4.6429 8.2154 121.2769 57.3018 64.3101 173.3894 1157 V 3.6630 8.1811 118.1964 64.0063 31.6314 177.7517 1158 V 4.1993 7.6957 122.4111 62.2034 32.2767 170.1552 1159 N 4.8590 8.4104 121.3514 51.5376 38.9179 174.4495 1160 I 4.5241 8.9673 131.6856 60.4662 37.6981 178.1309 1161 Q 3.8150 8.1648 122.3004 59.0961 29.9940 178.8096 1162 E 3.1874 7.7624 109.4592 57.4307 30.3214 180.0401 1163 E 3.6311 8.2658 120.8807 59.3576 30.5043 178.7999 1164 I 3.7026 7.2635 120.9474 64.6988 37.6367 177.9648 1165 D 4.5234 7.7821 119.4385 57.4950 40.8229 179.0192 1166 R 3.9026 8.0046 118.2314 59.5284 30.0383 179.1197 1167 L 4.0582 8.6963 119.2690 57.6178 41.5023 179.6410 1168 N 4.3912 8.1884 116.8552 56.4174 38.6852 177.1184 1169 E 4.0387 8.0813 119.7577 58.8109 29.5725 178.6626 1170 V 3.6677 7.5410 117.1322 65.6167 31.5907 177.4815 1171 A 4.1330 7.3443 118.8395 54.7517 18.3042 179.1488 1172 K 4.2276 7.9911 117.1344 57.2644 32.3288 176.3040 1173 N 4.8985 7.9079 116.7166 51.8527 39.3061 174.7104 1174 L 5.6198 8.1590 135.0000 56.3601 42.4110 176.1189 1175 N 4.5147 8.0878 115.4344 56.1594 39.1424 176.3216 1176 E 4.1248 8.4277 117.6290 59.8103 29.6243 179.1259 1177 S 4.3594 7.5177 110.9283 58.7098 62.5620 173.7232 1178 L 4.6464 7.6678 123.6317 53.1418 42.2107 176.0439 1179 I 3.4053 7.7715 126.4003 61.8525 37.5353 174.5780 1180 D 4.8229 8.3811 123.2502 52.2764 42.9478 175.6685 1181 L 4.1747 8.4553 126.8941 55.2835 42.1176 175.9430 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 901 N 8.42 4.73 0.00 2.85 3.02 0.00 0.00 5.81 6.50 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 0.00 902 Q 7.77 4.35 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 7.24 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 903 K 8.70 4.61 0.00 1.90 1.88 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.46 7.81 904 Q 7.97 4.53 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.96 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 905 I 7.55 4.07 1.90 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.99 0.00 0.00 906 A 8.08 3.98 1.32 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 0.00 0.00 907 N 8.34 4.26 0.00 2.77 2.86 0.00 0.00 7.58 7.30 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 0.00 908 Q 8.38 3.64 0.00 2.28 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.70 0.00 0.00 0.00 0.00 0.00 2.64 2.45 0.00 909 F 8.39 3.70 0.00 3.21 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 0.00 910 N 10.20 4.32 0.00 3.06 2.66 0.00 0.00 7.08 6.93 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 0.00 911 K 5.66 3.97 0.00 1.77 1.89 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.66 1.67 7.81 912 A 7.85 3.92 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 0.00 913 I 9.02 3.84 1.72 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 1.40 1.30 1.05 0.00 0.00 914 S 7.85 5.09 0.00 3.94 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 0.00 915 Q 8.06 4.04 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.42 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 916 I 7.85 3.18 1.95 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.75 0.88 0.00 0.00 917 Q 7.79 4.08 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.63 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 918 E 8.88 4.90 0.00 2.10 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 2.38 2.32 0.00 919 S 8.05 4.52 0.00 4.02 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 0.00 920 L 7.69 4.32 0.00 1.77 1.58 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 921 T 7.46 4.21 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 0.00 922 T 9.56 3.89 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 1.21 0.00 0.00 923 T 8.19 3.99 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 1.21 0.00 0.00 924 S 7.88 4.29 0.00 3.89 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 0.00 925 T 8.78 3.88 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 1.21 0.00 0.00 926 A 6.79 3.30 1.26 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 0.00 0.00 0.00 927 L 7.50 3.97 0.00 1.73 1.71 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 928 G 9.86 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 929 K 8.48 3.89 0.00 1.85 1.88 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.50 7.81 930 L 7.36 4.07 0.00 1.70 1.72 0.92 0.83 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 0.00 931 Q 7.72 4.16 0.00 2.06 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 7.01 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 932 D 8.98 4.34 0.00 2.83 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 0.00 0.00 0.00 0.00 933 V 7.30 3.70 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 1.02 0.00 0.00 0.93 0.00 0.00 934 V 7.45 3.51 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 0.97 0.00 0.00 0.95 0.00 0.00 935 N 9.39 4.73 0.00 2.77 2.83 0.00 0.00 6.97 7.22 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 0.00 936 Q 8.30 4.80 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.73 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 937 N 7.83 4.99 0.00 2.93 2.79 0.00 0.00 6.88 7.54 0.00 0.00 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 8.06 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 8.37 3.99 0.00 2.24 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 940 A 7.90 3.95 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 0.00 941 L 9.86 3.70 0.00 1.66 1.36 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 942 N 6.04 3.99 0.00 2.97 2.75 0.00 0.00 7.48 6.90 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 0.00 943 T 8.20 3.90 4.43 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 1.21 0.00 0.00 944 L 9.57 4.05 0.00 2.08 1.65 0.92 0.80 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 0.00 945 V 7.38 3.58 2.24 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 0.86 0.00 0.00 0.93 0.00 0.00 946 K 8.08 4.15 0.00 1.79 1.85 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.46 7.81 947 Q 7.89 4.39 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.50 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 *1152 G 7.81 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 1153 I 7.56 4.41 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 1.30 0.54 0.91 0.00 0.00 1154 N 8.08 4.16 0.00 2.61 2.65 0.00 0.00 7.01 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 1155 A 8.77 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 1156 S 8.22 4.64 0.00 3.84 3.78 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 1157 V 8.18 3.66 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 0.82 0.00 0.00 0.93 0.00 0.00 1158 V 7.70 4.20 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 0.73 0.00 0.00 0.98 0.00 0.00 1159 N 8.41 4.86 0.00 2.67 2.70 0.00 0.00 7.08 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 1160 I 8.97 4.52 1.97 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 1.29 1.09 0.96 0.00 0.00 1161 Q 8.16 3.81 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.89 6.51 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 1162 E 7.76 3.19 0.00 2.07 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 1163 E 8.27 3.63 0.00 2.07 1.89 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 2.40 2.52 0.00 1164 I 7.26 3.70 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 1.68 0.73 0.99 0.00 0.00 1165 D 7.78 4.52 0.00 2.81 2.72 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 1166 R 8.00 3.90 0.00 2.03 1.98 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 1167 L 8.70 4.06 0.00 1.89 1.74 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 1168 N 8.19 4.39 0.00 2.99 2.85 0.00 0.00 6.47 7.51 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 1169 E 8.08 4.04 0.00 2.08 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 2.38 2.42 0.00 1170 V 7.54 3.67 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 0.87 0.00 0.00 0.93 0.00 0.00 1171 A 7.34 4.13 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 1172 K 7.99 4.23 0.00 1.79 2.07 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.48 7.81 1173 N 7.91 4.90 0.00 2.76 2.75 0.00 0.00 6.90 7.87 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 1174 L 8.16 5.62 0.00 1.79 1.75 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 1175 N 8.09 4.51 0.00 2.71 2.90 0.00 0.00 6.93 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 1176 E 8.43 4.12 0.00 2.01 2.01 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 2.41 2.29 0.00 1177 S 7.52 4.36 0.00 4.03 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 1178 L 7.67 4.65 0.00 1.88 1.63 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 1179 I 7.77 3.41 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 0.34 0.19 0.73 0.00 0.00 1180 D 8.38 4.82 0.00 2.58 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 1181 L 8.46 4.17 0.00 1.63 1.51 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.