NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 945 G 3.9454 8.3393 109.7364 45.0971 0.0000 173.9556 946 S 4.1828 8.1570 115.2510 57.1697 65.1045 173.6126 947 M 4.0810 8.7221 123.6624 58.5190 32.5617 179.3549 948 L 3.9170 7.9400 120.1349 58.6846 42.3173 178.7910 949 T 3.8717 7.5121 114.3939 66.6569 68.2932 176.4655 950 K 3.9325 7.5786 120.2902 59.6883 32.2672 178.5973 951 D 4.3659 8.3733 119.4698 57.3679 40.6763 179.0492 952 I 3.7367 8.0251 122.6745 64.9932 37.1565 178.7484 953 E 3.9971 8.0031 118.8721 61.4956 29.6024 181.1856 954 I 3.9694 8.0943 121.2418 64.0103 37.0389 178.6162 955 L 4.0623 7.6961 119.6937 57.6812 41.5135 179.4999 956 R 4.0428 8.1965 117.6681 58.4869 29.8272 178.9477 957 R 4.0798 7.6925 118.6258 58.9866 30.1564 178.1756 958 E 4.1020 8.0594 118.2380 59.6880 29.3147 179.1785 959 N 4.3663 7.9368 114.9943 55.9628 38.6449 176.9026 960 E 4.0959 7.7094 119.5486 59.3160 29.8317 178.6312 961 E 4.0101 8.8838 119.1519 58.9828 29.4188 179.0913 962 L 3.9910 8.3089 121.2814 58.3670 42.0315 179.0240 963 T 3.9906 7.7337 115.4698 65.6829 68.4639 175.5605 964 E 4.2157 7.9321 120.5292 56.8477 30.1577 176.7438 965 K 4.4867 7.7224 118.6929 56.7370 32.3369 175.5513 966 M 4.5533 7.6960 114.7109 56.6963 34.3554 178.0978 967 K 4.1292 7.9187 117.7794 59.1368 32.3384 178.7317 968 K 4.5216 7.6201 113.8947 56.3522 32.3911 177.2224 969 A 4.5220 7.6314 122.8811 53.8420 20.0100 179.5871 970 E 3.8048 8.4668 116.5408 59.7739 29.6327 179.1469 971 E 4.0312 7.7452 118.5569 59.0352 29.6075 178.6354 972 E 4.1301 7.8342 119.1301 58.9314 29.5346 178.0025 973 Y 4.0809 8.7470 117.0247 60.1070 38.3074 179.0406 974 K 3.9949 8.3858 121.6348 59.5295 32.3861 178.3470 975 L 3.9999 7.9484 120.1360 58.1207 42.0424 177.9733 976 E 4.1263 8.1824 118.7340 59.5821 29.3261 178.7352 977 K 4.0417 7.6703 118.1393 58.8652 32.6120 178.0383 978 E 4.2373 8.8666 122.5591 59.1445 29.2429 178.9177 979 E 4.5540 9.0017 121.0293 60.3564 29.7271 181.3059 980 E 4.2254 8.1246 120.1864 58.0618 29.5457 178.0426 981 I 4.3557 7.4172 111.5734 61.9420 39.3268 177.2480 982 S 4.4025 8.1081 115.0452 59.8490 62.5995 174.8226 983 N 4.9788 7.8496 117.7711 51.8570 38.7159 175.9325 984 L 4.0855 7.2939 116.9650 57.3553 42.3007 178.4058 985 K 4.3363 8.1365 118.5236 59.1026 31.9812 178.8333 986 A 4.0157 8.1417 120.0758 54.9057 17.6888 179.2061 987 A 4.0236 7.7990 119.3426 54.9651 19.0377 179.6640 988 F 4.1348 7.9374 115.2836 59.7920 38.9160 177.4415 989 E 4.0236 8.4632 119.8464 59.1073 29.3774 178.0919 990 K 3.7001 7.6689 118.8907 59.9890 32.0591 178.0247 991 N 4.4594 8.0717 115.9712 55.8868 38.7602 176.2240 992 I 4.1649 7.3762 122.0397 63.2399 37.9274 177.7304 993 N 4.5568 9.0583 120.1809 56.2563 37.5297 181.0362 994 T 4.2057 7.4472 114.7156 67.1622 69.1311 176.9979 995 E 4.0191 7.6731 119.9461 59.3233 29.3973 179.4628 996 R 3.9258 8.2692 119.0613 59.6162 30.1357 178.8004 997 T 3.9049 7.4928 115.8049 66.6021 68.6007 176.8637 998 L 4.0481 7.8920 120.6771 57.3021 41.5370 179.5201 999 K 3.9144 8.1921 119.7408 59.8235 32.1929 178.8895 1000 T 3.8585 7.9899 115.9778 66.8618 68.4371 176.5126 1001 Q 3.9821 8.1722 119.4838 58.8917 28.7081 178.8909 1002 A 3.9674 7.8750 121.2835 55.0784 18.4820 179.6239 1003 V 3.5227 7.8725 116.7916 66.5164 31.5148 177.9811 1004 N 4.3506 8.5247 116.3963 56.2305 38.3069 177.3808 1005 K 3.9386 8.2082 121.1120 59.2110 32.1788 178.6907 1006 L 3.9515 8.1055 120.6714 57.9600 41.9949 178.8543 1007 A 3.9492 8.1003 120.7273 55.0882 18.1345 179.0854 1008 E 3.8714 8.1512 116.7788 59.5954 30.0867 178.8801 1009 I 3.8658 8.1609 120.0907 64.7945 37.2622 178.4577 1010 M 4.1484 8.3599 119.6815 58.0354 31.5780 177.9856 1011 N 4.5102 8.2548 115.8996 55.3282 39.2446 175.9144 1012 R 4.4631 7.4551 116.9280 56.3409 31.0780 176.1716 1013 K 4.1665 7.7465 123.4319 56.6105 32.1156 176.6633 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 3.95 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 0.00 0.00 0.00 946 S 8.16 4.18 0.00 4.14 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 0.00 947 M 8.72 4.08 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.76 0.00 948 L 7.94 3.92 0.00 1.75 1.66 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 949 T 7.51 3.87 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 950 K 7.58 3.93 0.00 1.98 1.95 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.52 7.81 951 D 8.37 4.37 0.00 2.84 2.71 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 0.00 0.00 0.00 952 I 8.03 3.74 2.03 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 1.38 0.96 0.91 0.00 0.00 953 E 8.00 4.00 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 2.25 2.24 0.00 954 I 8.09 3.97 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 0.88 0.94 0.00 0.00 955 L 7.70 4.06 0.00 1.95 1.70 0.92 1.32 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 0.00 956 R 8.20 4.04 0.00 1.99 1.98 0.00 3.11 0.00 0.00 3.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 957 R 7.69 4.08 0.00 1.87 2.08 0.00 3.09 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 1.78 1.66 0.00 958 E 8.06 4.10 0.00 2.08 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 2.33 2.35 0.00 959 N 7.94 4.37 0.00 2.78 2.88 0.00 0.00 7.07 7.82 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 0.00 960 E 7.71 4.10 0.00 2.32 2.06 0.00 0.00 0.00 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 2.34 0.00 961 E 8.88 4.01 0.00 2.01 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 2.33 2.55 0.00 962 L 8.31 3.99 0.00 1.98 1.81 0.91 0.64 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 0.00 963 T 7.73 3.99 4.40 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 1.20 0.00 0.00 964 E 7.93 4.22 0.00 1.98 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 2.26 2.23 0.00 965 K 7.72 4.49 0.00 1.89 1.90 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.40 7.81 966 M 7.70 4.55 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.47 0.00 967 K 7.92 4.13 0.00 1.76 1.86 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.41 7.81 968 K 7.62 4.52 0.00 1.94 1.83 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.37 7.81 969 A 7.63 4.52 1.31 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 0.00 0.00 970 E 8.47 3.80 0.00 2.14 2.14 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 2.45 2.43 0.00 971 E 7.75 4.03 0.00 1.92 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 2.36 2.48 0.00 972 E 7.83 4.13 0.00 2.41 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 0.00 2.40 2.40 0.00 973 Y 8.75 4.08 0.00 3.12 3.05 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 0.00 0.00 0.00 974 K 8.39 3.99 0.00 2.03 1.91 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.47 7.81 975 L 7.95 4.00 0.00 1.76 1.66 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 976 E 8.18 4.13 0.00 1.92 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 2.29 2.24 0.00 977 K 7.67 4.04 0.00 1.81 1.84 0.00 1.89 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.46 7.81 978 E 8.87 4.24 0.00 2.11 1.96 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 2.29 2.32 0.00 979 E 9.00 4.55 0.00 1.92 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 2.24 2.04 0.00 980 E 8.12 4.23 0.00 2.22 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 2.32 2.33 0.00 981 I 7.42 4.36 1.90 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 1.86 0.67 1.01 0.00 0.00 982 S 8.11 4.40 0.00 4.10 4.32 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 0.00 983 N 7.85 4.98 0.00 2.83 3.03 0.00 0.00 5.89 6.67 0.00 0.00 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 7.29 4.09 0.00 2.05 1.83 1.01 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 985 K 8.14 4.34 0.00 1.91 1.87 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.65 7.81 986 A 8.14 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 0.00 987 A 7.80 4.02 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 4.13 0.00 3.32 3.07 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 0.00 0.00 0.00 989 E 8.46 4.02 0.00 2.09 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 0.00 2.33 2.34 0.00 990 K 7.67 3.70 0.00 1.88 1.81 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.47 7.81 991 N 8.07 4.46 0.00 2.88 2.96 0.00 0.00 7.15 7.48 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 0.00 992 I 7.38 4.16 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.79 0.94 0.00 0.00 993 N 9.06 4.56 0.00 2.68 2.82 0.00 0.00 6.87 5.12 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 0.00 994 T 7.45 4.21 4.25 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 0.00 0.00 0.00 1.21 0.00 0.00 995 E 7.67 4.02 0.00 2.12 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 2.45 2.48 0.00 996 R 8.27 3.93 0.00 1.96 2.01 0.00 3.10 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 1.63 1.67 0.00 997 T 7.49 3.90 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 0.00 998 L 7.89 4.05 0.00 1.86 1.72 0.95 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 8.19 3.91 0.00 1.91 1.98 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 1000 T 7.99 3.86 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 8.17 3.98 0.00 2.08 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 2.60 2.53 0.00 1002 A 7.88 3.97 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 7.87 3.52 2.30 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 1.02 0.00 0.00 0.95 0.00 0.00 1004 N 8.52 4.35 0.00 2.74 2.85 0.00 0.00 6.75 7.76 0.00 0.00 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 8.21 3.94 0.00 1.99 1.95 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.49 7.81 1006 L 8.11 3.95 0.00 2.01 1.69 0.92 0.92 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 8.10 3.95 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 1008 E 8.15 3.87 0.00 1.96 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 2.32 2.36 0.00 1009 I 8.16 3.87 2.00 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 1.84 1.21 0.91 0.00 0.00 1010 M 8.36 4.15 0.00 2.01 2.11 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 2.62 2.83 0.00 1011 N 8.25 4.51 0.00 2.87 2.84 0.00 0.00 7.12 7.27 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 1012 R 7.46 4.46 0.00 2.09 1.94 0.00 3.38 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 1013 K 7.75 4.17 0.00 1.92 1.72 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.73 1.52 7.81