NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4513 8.2493 123.5818 52.2487 21.8366 181.1924 2 K 4.6415 7.6289 122.6383 53.6036 32.5891 176.9179 3 T 4.3030 9.0445 103.1549 61.5577 72.9160 171.4987 4 I 3.2415 7.8415 131.4666 60.6539 36.8143 174.1065 5 K 5.4633 9.5031 129.6634 53.8271 30.1367 176.6405 6 I 4.0175 7.5314 114.9704 62.1043 39.2059 176.5295 7 T 4.9709 8.5291 118.9818 60.7452 72.0896 175.2197 8 Q 3.7626 8.7263 123.6361 57.8703 29.4207 176.2479 9 T 3.2769 7.7370 114.8385 62.8369 66.7721 172.6291 10 R 4.3726 6.1636 120.6655 54.6891 32.3326 176.9909 11 S 4.2905 8.3331 113.1162 57.3362 61.9300 174.5995 12 A 4.3833 8.2546 133.8610 51.7566 16.1398 175.9604 13 I 4.1574 7.6762 122.9230 62.2596 38.8381 177.8049 14 G 4.0594 7.8232 106.0123 45.3720 0.0000 173.8336 15 R 4.3213 7.7373 118.3693 54.9096 31.0328 176.3926 16 L 4.1160 8.4852 119.0150 54.6755 42.5109 176.9665 17 P 4.1959 0.0000 0.0000 65.7580 31.3809 178.1459 18 K 4.2573 7.9664 115.4250 57.8636 32.4141 177.0062 19 H 4.8149 8.3832 115.3597 58.7302 29.5647 176.8754 20 K 3.7606 8.1902 119.3667 59.6970 31.8174 178.7217 21 A 4.0076 7.9091 120.4462 55.5531 18.3502 179.8553 22 T 3.8208 7.7819 107.6892 64.8427 68.7874 175.9778 23 L 3.8783 8.5596 123.7112 57.8702 41.9063 178.9214 24 L 4.0415 8.3442 120.5316 58.1077 41.9156 178.6737 25 G 3.8914 7.6863 104.2650 48.3656 0.0000 175.1390 26 L 4.1339 7.5760 120.7845 55.5465 41.5769 178.6257 27 G 3.8050 8.1838 106.3091 45.2821 0.0000 173.1396 28 L 4.0373 7.3747 120.0671 54.2842 40.7726 176.2249 29 R 4.2721 7.7959 123.0383 57.7918 31.7226 179.5898 30 R 4.2276 7.6118 119.0368 56.3069 31.1087 176.3326 31 I 4.1686 8.2184 110.4363 62.2632 38.2026 176.7730 32 G 4.1005 7.7564 107.6802 45.8246 0.0000 173.0472 33 H 3.5397 7.9767 117.5554 57.3965 30.3815 170.8302 34 T 4.1681 8.2964 125.5550 63.2196 67.4682 171.3191 35 V 4.6326 7.9128 124.8768 59.6920 35.4096 174.5076 36 E 4.6161 8.7171 123.2109 54.3988 30.0257 175.1062 37 R 4.6336 8.5597 131.7150 56.7056 30.4937 177.9207 38 E 4.7467 9.0407 114.1503 56.1744 29.6017 174.5169 39 D 4.5774 9.0828 123.2289 55.0409 43.8877 174.8130 40 T 3.9700 7.5140 115.2142 63.2456 69.0708 173.1568 41 P 4.2116 0.0000 0.0000 66.3070 31.1255 178.1558 42 A 4.0231 8.0186 119.3629 54.5769 18.3694 178.8088 43 I 3.4962 7.7517 115.1398 64.3127 38.1120 178.1869 44 R 3.9826 8.2876 119.3891 59.3290 29.9655 178.7750 45 G 3.6017 8.2913 105.9682 47.9401 0.0000 175.3425 46 M 4.0390 8.4770 120.6859 58.5316 32.2988 178.3251 47 I 3.7078 7.8194 119.4246 64.6229 37.3341 177.5337 48 N 4.1490 8.1172 116.5564 57.0934 38.5479 176.5360 49 A 4.1196 7.6624 120.0299 54.5801 18.7806 179.4367 50 V 4.2522 7.9509 110.7711 61.6268 32.8975 178.3727 51 S 3.8891 7.9806 112.5170 62.5740 62.6099 174.9254 52 F 4.2891 8.4236 120.1393 60.0385 37.6609 176.1929 53 M 3.1582 6.2909 117.9730 57.7266 32.1755 178.6323 54 V 4.3046 7.9524 113.7018 59.9761 34.5336 175.2453 55 K 4.3134 8.5001 122.8747 55.4170 34.4664 175.7603 56 V 3.9564 8.3194 128.2427 62.9163 32.3767 175.3844 57 E 4.4569 8.6260 127.7285 54.1790 31.9801 174.8826 58 E 4.1383 8.7834 125.0084 56.6780 29.5262 177.4131 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 A 8.25 4.45 1.24 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 0.00 0.00 0.00 2 K 7.63 4.64 0.00 1.95 1.21 0.00 1.54 0.00 0.00 1.73 0.00 0.00 3.30 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.43 7.81 3 T 9.04 4.30 4.31 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 1.27 0.00 0.00 4 I 7.84 3.24 1.86 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 1.65 0.64 0.90 0.00 0.00 5 K 9.50 5.46 0.00 1.46 1.76 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.29 7.81 6 I 7.53 4.02 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.22 0.89 0.00 0.00 7 T 8.53 4.97 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 1.23 0.00 0.00 8 Q 8.73 3.76 0.00 1.97 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.05 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 9 T 7.74 3.28 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 1.19 0.00 0.00 10 R 6.16 4.37 0.00 1.90 1.95 0.00 3.29 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 11 S 8.33 4.29 0.00 3.85 3.86 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 0.00 0.00 0.00 12 A 8.25 4.38 1.24 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 0.00 0.00 0.00 13 I 7.68 4.16 1.89 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 1.36 0.66 0.92 0.00 0.00 14 G 7.82 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.74 4.32 0.00 1.88 2.05 0.00 3.37 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.96 0.00 16 L 8.49 4.12 0.00 1.59 1.52 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.20 0.00 2.17 2.11 0.00 3.58 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 18 K 7.97 4.26 0.00 1.68 1.75 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.45 7.81 19 H 8.38 4.81 0.00 3.51 3.30 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.19 3.76 0.00 1.81 1.91 0.00 1.70 0.00 0.00 1.84 0.00 0.00 3.11 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.57 1.82 7.81 21 A 7.91 4.01 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 22 T 7.78 3.82 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 1.35 0.00 0.00 23 L 8.56 3.88 0.00 1.80 1.84 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.34 4.04 0.00 1.76 1.87 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.69 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.58 4.13 0.00 1.61 1.73 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.18 3.81 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 0.00 0.00 0.00 28 L 7.37 4.04 0.00 1.65 1.76 0.86 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.80 4.27 0.00 1.90 1.90 0.00 3.26 0.00 0.00 3.25 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 30 R 7.61 4.23 0.00 1.90 1.92 0.00 3.16 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 31 I 8.22 4.17 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 1.35 0.56 0.91 0.00 0.00 32 G 7.76 4.10 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 0.00 0.00 0.00 33 H 7.98 3.54 0.00 3.20 3.26 0.00 5.83 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.30 4.17 4.26 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 1.30 0.00 0.00 35 V 7.91 4.63 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 0.68 0.00 0.00 0.91 0.00 0.00 36 E 8.72 4.62 0.00 1.99 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 2.21 2.28 0.00 37 R 8.56 4.63 0.00 1.84 0.91 0.00 3.29 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 38 E 9.04 4.75 0.00 1.92 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 2.20 2.26 0.00 39 D 9.08 4.58 0.00 2.57 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 40 T 7.51 3.97 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 41 P 0.00 4.21 0.00 2.15 2.13 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 42 A 8.02 4.02 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 43 I 7.75 3.50 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.19 0.98 0.00 0.00 44 R 8.29 3.98 0.00 2.03 2.09 0.00 3.20 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 1.62 1.69 0.00 45 G 8.29 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 M 8.48 4.04 0.00 1.95 2.32 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 2.79 2.60 0.00 47 I 7.82 3.71 2.08 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.86 0.89 0.00 0.00 48 N 8.12 4.15 0.00 2.81 3.06 0.00 0.00 7.22 8.01 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 49 A 7.66 4.12 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 50 V 7.95 4.25 1.83 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 0.74 0.00 0.00 0.96 0.00 0.00 51 S 7.98 3.89 0.00 4.09 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 52 F 8.42 4.29 0.00 3.25 3.23 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 0.00 53 M 6.29 3.16 0.00 1.62 1.27 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 1.64 0.00 54 V 7.95 4.30 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 0.64 0.00 0.00 0.90 0.00 0.00 55 K 8.50 4.31 0.00 1.81 1.61 0.00 1.51 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.41 7.81 56 V 8.32 3.96 2.07 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 0.84 0.00 0.00 0.91 0.00 0.00 57 E 8.63 4.46 0.00 2.06 1.87 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 2.26 2.38 0.00 58 E 8.78 4.14 0.00 1.97 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 2.32 2.37 0.00