NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2523 8.5445 116.7464 55.6281 31.7045 175.7579 2 K 4.6014 7.9795 120.3582 53.1424 34.8177 176.3191 3 R 4.7054 8.3772 117.4547 54.6629 32.8827 174.8562 4 P 4.5030 0.0000 0.0000 62.7749 32.2144 175.5898 5 R 4.6283 7.8208 115.0228 54.8629 32.2941 174.4153 6 T 4.1157 9.0804 114.0012 61.2298 68.0443 173.9406 7 A 4.1346 8.3712 127.6888 52.0682 19.0093 177.0681 8 F 5.3503 8.3793 120.5069 55.6001 41.6261 176.5047 9 S 4.5197 9.2032 119.8582 57.8755 65.0483 175.7040 10 S 4.1221 8.5184 117.0300 61.3169 62.6113 176.2664 11 E 3.8660 8.0391 122.7208 59.2322 29.4697 178.5387 12 Q 3.8206 8.1007 118.0868 58.9067 28.6808 178.7334 13 L 3.7923 8.2229 120.0761 57.7005 41.6714 179.5268 14 A 3.9587 8.2598 120.9468 55.1131 18.2339 179.8636 15 R 3.8254 7.9718 116.5580 59.4023 30.1407 179.3285 16 L 3.7378 7.7561 118.7782 57.5705 41.4360 179.6608 17 K 4.1903 7.9788 118.5683 59.5014 31.8641 179.3065 18 R 3.9498 8.0650 118.8584 59.5843 30.0185 178.4688 19 E 4.0888 8.5000 118.7183 59.4355 29.2587 179.1257 20 F 4.4238 8.8474 120.1073 61.4863 39.5537 176.7313 21 N 4.4872 8.3749 114.9120 55.6475 38.3518 177.1608 22 E 4.2906 7.6776 120.0073 57.7864 29.8273 177.0284 23 N 4.7109 7.7561 116.6983 52.7259 41.6853 174.3775 24 R 3.6117 8.5156 124.6002 57.3485 30.5289 175.9881 25 Y 4.8382 8.2057 115.9229 55.9264 40.5174 174.8596 26 L 4.5275 8.3027 123.6397 53.2274 43.8637 177.2109 27 T 4.4197 8.1887 115.9390 61.2288 71.4436 176.4651 28 E 4.0185 8.6963 122.9990 62.0356 29.6859 180.2124 29 R 4.1415 7.9971 121.7264 61.3252 29.3961 180.5826 30 R 4.2220 7.8795 116.1179 58.2524 29.6678 178.7029 31 R 3.7925 8.0155 120.0351 59.4491 30.1073 178.4339 32 Q 3.9751 8.2649 118.0623 58.9723 28.7397 178.7059 33 Q 3.9666 8.1135 119.0384 58.9937 28.7891 178.9216 34 L 3.9327 8.1411 120.1694 57.8576 41.8093 179.2385 35 S 4.3725 8.0546 114.4028 61.0047 61.9695 176.4129 36 S 4.1189 7.6817 114.0943 61.2253 62.2145 175.5053 37 E 4.1439 8.0516 120.3289 58.2939 29.4360 178.1215 38 L 4.3600 8.2825 117.8014 53.9014 42.3111 177.0092 39 G 3.8174 7.8662 106.0499 46.4177 0.0000 173.1889 40 L 4.6926 7.3859 118.0349 51.8517 44.7969 175.9703 41 N 4.5421 8.4898 120.4446 53.5034 39.8641 175.5174 42 E 3.9871 8.9873 123.5654 59.6977 29.5145 179.5804 43 A 4.0485 8.5699 120.7132 55.2320 18.3349 179.7964 44 Q 4.1278 8.2039 116.7169 59.1590 28.7803 178.8309 45 I 3.9477 7.8582 120.3903 64.2970 37.1649 177.9860 46 K 3.9972 8.3908 120.5705 59.8595 31.9931 178.7639 47 I 3.7767 8.1611 119.9937 64.1411 36.9837 178.1435 48 W 4.0342 8.6811 129.2738 60.6026 30.5087 178.0727 49 F 3.9510 9.0894 117.8207 60.5840 38.4272 177.6804 50 Q 4.0489 8.6323 118.0706 59.1752 28.4609 178.7110 51 N 4.1836 8.4691 117.6215 56.0654 37.9547 177.4071 52 A 3.2213 7.3451 122.2068 54.8412 17.9546 179.9164 53 R 3.9799 7.7550 115.3685 59.3272 30.1959 178.8880 54 A 4.1503 7.9499 122.0979 55.5157 18.4397 179.7770 55 K 3.8689 7.8680 121.6487 60.2555 31.7445 179.2874 56 I 4.2486 7.1950 123.1498 61.3614 37.2268 175.8410 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 1 E 8.54 4.25 0.00 2.01 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 1.88 0.00 2 K 7.98 4.60 0.00 1.82 1.59 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.25 1.09 7.81 3 R 8.38 4.71 0.00 1.76 1.86 0.00 3.14 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 4 P 0.00 4.50 0.00 2.17 2.03 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 5 R 7.82 4.63 0.00 1.86 1.90 0.00 2.91 0.00 0.00 2.98 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.43 0.00 6 T 9.08 4.12 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 1.57 0.00 0.00 7 A 8.37 4.13 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 8 F 8.38 5.35 0.00 2.90 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 9 S 9.20 4.52 0.00 4.01 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 10 S 8.52 4.12 0.00 4.08 4.18 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 11 E 8.04 3.87 0.00 2.03 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 2.32 2.36 0.00 12 Q 8.10 3.82 0.00 2.14 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.15 2.27 0.00 13 L 8.22 3.79 0.00 1.84 1.76 1.03 1.01 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 14 A 8.26 3.96 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.97 3.83 0.00 1.84 1.92 0.00 3.25 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.72 0.00 16 L 7.76 3.74 0.00 0.70 0.13 0.18 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.98 4.19 0.00 1.97 1.97 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.68 1.74 7.81 18 R 8.07 3.95 0.00 2.02 2.11 0.00 3.11 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 1.66 1.70 0.00 19 E 8.50 4.09 0.00 2.39 2.25 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 2.57 2.53 0.00 20 F 8.85 4.42 0.00 3.03 3.37 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 21 N 8.37 4.49 0.00 2.82 2.91 0.00 0.00 7.10 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.68 4.29 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.50 0.00 23 N 7.76 4.71 0.00 2.68 2.73 0.00 0.00 7.35 7.21 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 24 R 8.52 3.61 0.00 1.33 1.28 0.00 2.94 0.00 0.00 2.83 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.13 0.00 25 Y 8.21 4.84 0.00 2.96 2.85 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 26 L 8.30 4.53 0.00 1.37 1.37 0.36 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.19 4.42 4.23 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 1.21 0.00 0.00 28 E 8.70 4.02 0.00 1.99 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 2.32 1.95 0.00 29 R 8.00 4.14 0.00 1.81 1.98 0.00 3.21 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.27 0.00 30 R 7.88 4.22 0.00 2.04 2.19 0.00 2.72 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 1.58 1.56 0.00 31 R 8.02 3.79 0.00 1.97 2.14 0.00 3.25 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 32 Q 8.26 3.98 0.00 2.34 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.68 2.57 0.00 33 Q 8.11 3.97 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 34 L 8.14 3.93 0.00 1.77 1.68 0.96 0.87 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 35 S 8.05 4.37 0.00 3.91 4.07 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 36 S 7.68 4.12 0.00 3.92 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 37 E 8.05 4.14 0.00 1.96 1.95 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 2.31 2.51 0.00 38 L 8.28 4.36 0.00 1.49 1.51 0.73 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.87 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 0.00 0.00 0.00 40 L 7.39 4.69 0.00 1.50 1.39 -0.03 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.49 4.54 0.00 2.74 2.73 0.00 0.00 7.15 7.65 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 42 E 8.99 3.99 0.00 2.06 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 2.40 2.39 0.00 43 A 8.57 4.05 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.20 4.13 0.00 2.39 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.48 2.67 0.00 45 I 7.86 3.95 2.06 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 1.73 0.85 1.05 0.00 0.00 46 K 8.39 4.00 0.00 1.98 2.11 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.57 7.81 47 I 8.16 3.78 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.64 1.00 0.00 0.00 48 W 8.68 4.03 0.00 3.81 3.66 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 49 F 9.09 3.95 0.00 3.44 3.28 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 50 Q 8.63 4.05 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.76 0.00 51 N 8.47 4.18 0.00 2.44 2.56 0.00 0.00 6.95 7.45 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 52 A 7.35 3.22 -0.48 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 53 R 7.76 3.98 0.00 1.94 2.02 0.00 2.86 0.00 0.00 2.71 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.99 0.00 54 A 7.95 4.15 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 55 K 7.87 3.87 0.00 1.85 1.77 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.40 1.39 7.81 56 I 7.19 4.25 2.02 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.95 0.92 0.00 0.00