NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 945 G 3.9235 8.3393 109.7364 45.3727 0.0000 172.0067 946 S 4.2989 8.2448 118.2551 57.3479 65.3033 172.7204 947 M 4.2883 9.1648 119.4756 55.6790 33.4191 177.2671 948 L 4.1961 7.7221 117.9499 55.7329 42.6153 176.6752 949 T 4.7627 7.9200 110.5974 59.6964 73.4479 173.5819 950 K 3.6130 8.8527 116.3999 61.3564 32.0054 178.4691 951 D 4.4100 8.0851 118.7669 57.9021 41.2866 179.1087 952 I 3.7528 7.3379 120.6716 64.1538 37.1148 178.0082 953 E 3.9024 8.2863 120.2605 59.3599 29.3388 178.7883 954 I 3.7129 7.6580 118.2064 64.0297 37.9873 177.6310 955 L 4.1648 7.8596 118.6443 56.7029 41.3983 179.6383 956 R 3.9081 7.8077 118.8019 59.3900 30.1501 179.0246 957 R 4.0454 8.0266 117.7162 59.2131 29.9631 178.8048 958 E 3.7906 8.0251 119.3551 58.9799 29.5646 178.4689 959 N 4.2517 7.8797 117.0079 56.8695 39.0150 176.2857 960 E 3.8960 8.3485 120.0619 59.7003 29.4993 178.9915 961 E 3.9327 9.0320 118.6203 59.7923 29.4841 179.5180 962 L 3.9330 7.7031 118.6277 58.3908 42.3189 178.9593 963 T 4.0651 7.8496 115.8544 66.5321 68.4056 176.6723 964 E 3.9524 8.4795 120.8872 59.3051 29.5089 179.0861 965 K 3.8156 8.3523 119.9086 60.0567 31.6244 178.5389 966 M 4.1318 8.0095 118.7171 57.7367 31.8776 178.5289 967 K 3.9550 7.8800 119.5370 59.4720 32.5483 178.9046 968 K 4.0102 8.3469 118.6601 59.3135 31.9167 179.1939 969 A 4.2854 7.9669 122.2623 54.3044 18.0465 179.1155 970 E 4.0145 7.9225 117.5887 59.3440 29.4367 178.3717 971 E 3.9272 8.0714 118.3202 59.5722 29.1917 179.2985 972 E 4.1540 8.1437 117.7564 58.8744 29.9709 178.1136 973 Y 3.9774 7.8170 119.5981 60.5444 38.7044 177.1074 974 K 4.2005 8.5711 120.7578 58.6672 31.9839 178.4959 975 L 4.0818 7.6339 119.2451 56.7432 42.4211 178.1715 976 E 4.2236 7.4765 118.6296 57.5585 30.1870 177.6629 977 K 3.8459 8.5355 120.7000 59.2138 32.3122 178.4114 978 E 3.8824 8.1494 119.0015 58.8421 29.3569 178.1860 979 E 4.0900 7.8844 117.7302 58.2772 30.2613 177.6257 980 E 3.8294 7.7854 118.8526 59.5281 29.6416 179.0922 981 I 3.5714 7.7877 119.5219 65.0593 37.0815 177.7714 982 S 4.0175 7.6351 114.6008 62.5177 62.7126 176.4299 983 N 4.2457 8.9285 119.6890 56.4437 38.4761 177.2353 984 L 3.5774 7.7180 121.9366 57.9338 41.8586 179.0667 985 K 3.9393 8.6241 118.4435 59.1477 31.8263 179.1841 986 A 3.9054 8.2213 121.2292 55.2040 18.2667 179.6089 987 A 4.0386 7.9149 118.5793 55.3535 18.4064 179.5396 988 F 4.4889 8.8952 114.6405 59.5356 39.0264 176.8026 989 E 4.6366 7.9387 119.3274 58.9167 31.4020 182.2970 990 K 4.4991 7.8016 117.6363 58.0777 33.2534 178.4641 991 N 4.2153 8.5520 119.7050 56.4278 39.0002 176.5576 992 I 3.8446 7.5840 119.4887 64.0723 38.3791 177.3681 993 N 4.5769 8.1153 117.0364 56.3536 38.3497 177.6449 994 T 3.8537 7.4231 117.0798 66.8223 68.6125 176.6317 995 E 3.9994 7.7563 119.2809 59.3111 29.4063 179.4567 996 R 3.9064 8.5241 119.3347 59.5986 30.1241 178.8072 997 T 3.9036 8.0285 115.6980 66.6026 68.5971 176.8689 998 L 4.0334 7.8735 120.6760 57.3102 41.5345 179.5143 999 K 3.9034 8.1975 119.7501 59.8209 32.1960 178.9035 1000 T 3.8526 7.9678 115.9407 66.8523 68.4319 176.5238 1001 Q 3.9828 8.1839 119.5127 58.9001 28.7201 178.9024 1002 A 3.9639 7.8850 121.3450 55.0616 18.4768 179.6455 1003 V 3.5212 7.8757 116.7905 66.5036 31.5718 177.9914 1004 N 4.3522 8.5344 116.4208 56.2240 38.3104 177.3819 1005 K 4.0065 8.1855 121.1275 59.2078 32.2609 178.6944 1006 L 3.9284 8.1673 120.6495 57.9146 41.8344 178.8127 1007 A 3.9271 8.0850 120.6648 55.1124 18.1942 178.7899 1008 E 4.0901 8.2398 116.8685 59.8690 29.6967 179.0913 1009 I 3.8677 7.6364 117.8926 64.7094 37.2472 178.1170 1010 M 4.2557 7.9789 118.4683 56.9106 32.0920 176.9655 1011 N 4.4278 8.5963 119.1827 53.7091 39.5087 174.8806 1012 R 4.2204 8.5891 124.2206 58.1573 30.8359 177.5245 1013 K 4.4267 7.9375 115.9451 56.3139 32.1728 176.1715 1014 D 4.3913 7.6976 124.8937 54.4771 41.4272 175.0694 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 945 G 8.34 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 0.00 0.00 0.00 946 S 8.24 4.30 0.00 4.02 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 947 M 9.16 4.29 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.60 0.00 948 L 7.72 4.20 0.00 1.67 1.75 1.07 0.83 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 0.00 949 T 7.92 4.76 4.24 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 0.00 0.00 0.00 1.26 0.00 0.00 950 K 8.85 3.61 0.00 1.81 1.80 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.58 7.81 951 D 8.09 4.41 0.00 2.71 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 0.00 952 I 7.34 3.75 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 1.41 0.58 0.91 0.00 0.00 953 E 8.29 3.90 0.00 2.35 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 2.31 2.36 0.00 954 I 7.66 3.71 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 1.18 0.99 0.00 0.00 955 L 7.86 4.16 0.00 1.78 1.69 0.97 1.16 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 0.00 956 R 7.81 3.91 0.00 2.11 1.96 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 957 R 8.03 4.05 0.00 1.86 1.98 0.00 3.12 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 958 E 8.03 3.79 0.00 2.03 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 0.00 2.30 2.31 0.00 959 N 7.88 4.25 0.00 2.89 2.97 0.00 0.00 7.16 8.96 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 0.00 960 E 8.35 3.90 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 2.33 2.52 0.00 961 E 9.03 3.93 0.00 1.96 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 0.00 2.34 2.49 0.00 962 L 7.70 3.93 0.00 1.79 1.98 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 963 T 7.85 4.07 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 0.00 964 E 8.48 3.95 0.00 2.06 2.00 0.00 0.00 0.00 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 2.46 0.00 965 K 8.35 3.82 0.00 1.80 2.03 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.50 7.81 966 M 8.01 4.13 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.86 0.00 967 K 7.88 3.96 0.00 1.82 2.00 0.00 1.72 0.00 0.00 2.19 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.54 7.81 968 K 8.35 4.01 0.00 1.85 1.97 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.59 7.81 969 A 7.97 4.29 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 970 E 7.92 4.01 0.00 2.08 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 0.00 2.32 2.37 0.00 971 E 8.07 3.93 0.00 2.08 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 2.35 2.43 0.00 972 E 8.14 4.15 0.00 2.10 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 2.31 2.43 0.00 973 Y 7.82 3.98 0.00 3.28 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 974 K 8.57 4.20 0.00 2.02 1.77 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.69 7.81 975 L 7.63 4.08 0.00 1.61 1.71 0.91 0.89 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 0.00 976 E 7.48 4.22 0.00 2.15 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.16 0.00 977 K 8.54 3.85 0.00 1.71 1.89 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.41 7.81 978 E 8.15 3.88 0.00 2.04 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 2.35 2.39 0.00 979 E 7.88 4.09 0.00 2.13 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 2.31 2.31 0.00 980 E 7.79 3.83 0.00 2.16 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 2.22 2.28 0.00 981 I 7.79 3.57 1.81 0.00 0.00 0.83 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 0.62 0.85 0.00 0.00 982 S 7.64 4.02 0.00 4.08 3.80 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 0.00 983 N 8.93 4.25 0.00 2.68 2.85 0.00 0.00 6.83 6.31 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 0.00 984 L 7.72 3.58 0.00 1.65 1.50 0.65 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 985 K 8.62 3.94 0.00 1.73 1.83 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.49 7.81 986 A 8.22 3.91 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 987 A 7.91 4.04 1.57 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 0.00 0.00 0.00 0.00 0.00 0.00 988 F 8.90 4.49 0.00 2.89 3.12 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 0.00 989 E 7.94 4.64 0.00 1.95 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 2.13 2.14 0.00 990 K 7.80 4.50 0.00 1.99 2.10 0.00 1.18 0.00 0.00 1.59 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.69 7.81 991 N 8.55 4.22 0.00 2.97 2.78 0.00 0.00 6.72 7.93 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 0.00 992 I 7.58 3.84 1.87 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 1.64 1.00 0.99 0.00 0.00 993 N 8.12 4.58 0.00 2.81 2.86 0.00 0.00 7.07 6.99 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 0.00 994 T 7.42 3.85 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 1.20 0.00 0.00 995 E 7.76 4.00 0.00 2.17 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 2.42 2.43 0.00 996 R 8.52 3.91 0.00 1.89 2.12 0.00 3.09 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 997 T 8.03 3.90 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 0.00 998 L 7.87 4.03 0.00 1.85 1.71 0.91 0.38 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 0.00 999 K 8.20 3.90 0.00 1.89 1.98 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.47 7.81 1000 T 7.97 3.85 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 1001 Q 8.18 3.98 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 1002 A 7.89 3.96 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 1003 V 7.88 3.52 2.29 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 1.02 0.00 0.00 0.96 0.00 0.00 1004 N 8.53 4.35 0.00 2.74 2.85 0.00 0.00 6.75 7.29 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 1005 K 8.19 4.01 0.00 1.99 1.95 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.48 7.81 1006 L 8.17 3.93 0.00 2.02 1.69 0.92 0.82 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 1007 A 8.08 3.93 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 1008 E 8.24 4.09 0.00 1.93 2.26 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 2.33 2.38 0.00 1009 I 7.64 3.87 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 1.74 0.92 0.91 0.00 0.00 1010 M 7.98 4.26 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.85 0.00 1011 N 8.60 4.43 0.00 2.67 2.72 0.00 0.00 7.25 7.53 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 1012 R 8.59 4.22 0.00 1.91 1.95 0.00 3.17 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 1013 K 7.94 4.43 0.00 1.74 1.81 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.42 7.81 1014 D 7.70 4.39 0.00 2.53 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00