NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5316 8.1633 120.3349 54.7764 33.9150 176.3264 2 K 3.6635 8.5806 119.1229 59.5678 32.0425 178.0051 3 Y 3.8756 8.6640 117.6513 60.9707 38.4743 178.1419 4 L 4.1341 8.1522 119.1568 57.9216 41.8005 179.3143 5 A 4.0320 7.9418 120.1202 54.9994 18.2191 179.5079 6 A 3.8381 7.9414 119.1931 55.6917 18.1366 179.5816 7 Y 4.0350 8.0740 115.0195 60.8558 38.0602 178.3775 8 L 4.1281 8.0611 119.8996 57.8382 41.2234 179.5085 9 L 4.0179 8.1806 118.9863 57.8901 41.5689 179.6351 10 L 4.0551 7.7866 118.5641 57.8312 41.2114 179.3429 11 N 4.3737 8.2792 116.3710 56.1117 38.2177 177.2185 12 A 4.0575 7.7574 120.8341 55.2635 18.5914 179.3907 13 A 4.1330 7.5040 117.0688 53.5689 18.3998 178.6449 14 G 4.0773 9.2399 104.8577 45.1185 0.0000 172.8661 15 N 5.0572 7.5117 114.4372 52.2481 42.5872 173.7929 16 T 4.4772 8.0190 108.7768 60.8803 71.3724 170.4380 17 P 4.9144 0.0000 0.0000 61.7665 33.6729 172.9288 18 D 4.1022 8.3129 114.0431 59.4183 40.3700 179.5956 19 A 4.0151 8.3487 123.0557 55.7566 19.5820 180.3722 20 T 3.9992 8.0669 104.6941 64.1860 69.2476 174.7805 21 K 4.3745 7.9067 118.7684 57.3122 34.8923 178.3648 22 I 3.3984 7.6411 118.9762 64.3106 36.9230 178.7413 23 K 3.9553 7.9594 118.8895 59.2410 31.7751 179.3107 24 A 3.9612 7.3349 117.9568 55.1497 18.3214 179.7900 25 I 3.6569 7.8966 119.9497 64.0670 37.2551 178.7703 26 L 3.9107 7.5549 119.5827 57.7341 41.5031 179.4214 27 E 4.1014 8.2148 118.8963 59.3905 29.2929 179.5317 28 S 4.1348 8.2359 114.4968 61.4119 62.7179 176.7643 29 V 3.7023 7.5077 121.2484 64.1499 31.2456 176.8115 30 G 4.0127 7.8096 105.0405 45.0607 0.0000 172.9044 31 I 4.4181 7.1696 119.4990 59.1874 39.1053 175.1673 32 E 4.2667 8.4925 123.1865 55.8392 30.1243 176.5218 33 I 4.2215 8.1414 124.8070 60.5319 38.5161 175.7750 34 E 4.3534 8.8846 124.7956 55.8048 30.6199 177.8614 35 D 4.4358 8.7526 124.3041 57.4921 41.0666 178.6646 36 E 4.0199 8.0214 119.9138 58.8320 29.6117 179.4208 37 K 3.7747 7.7706 119.3409 58.6703 32.0040 179.4426 38 V 3.9293 7.8986 119.7816 65.4652 30.9617 178.2598 39 S 4.1547 8.3648 114.5510 61.4054 62.8275 176.6139 40 S 4.1467 8.0044 119.3889 60.5731 62.7218 176.6830 41 V 3.5046 7.5882 121.9294 65.4413 31.3516 177.9946 42 L 3.9807 8.1052 119.0650 57.7573 41.4484 179.6561 43 S 4.1126 8.2713 114.1049 61.4059 62.6825 176.4102 44 A 4.0446 7.7649 123.4829 54.8543 18.4983 179.3053 45 L 4.0294 7.9185 117.5030 56.5884 41.5999 177.8334 46 E 4.0586 7.3975 117.9220 58.0620 29.7203 177.2409 47 G 3.9080 8.9453 110.8074 45.8543 0.0000 172.8302 48 K 4.4777 7.7410 118.0885 54.2392 34.2253 177.0898 49 S 4.5432 8.2560 118.1950 57.1119 63.8871 175.1569 50 V 3.5931 8.1814 127.9755 66.0707 31.2697 177.3823 51 D 4.3988 8.0156 118.3231 57.2954 40.1460 178.4148 52 E 3.9982 8.0925 118.7401 59.2899 29.3451 179.1344 53 L 4.2144 7.5013 118.2877 57.8248 41.7401 179.1927 54 I 3.8641 7.4819 118.7420 64.5007 37.0919 178.1889 55 T 3.9849 7.3659 109.6643 63.9331 68.9875 175.0665 56 E 4.0373 7.2108 121.3186 55.9072 30.0554 176.5953 57 G 4.1473 8.4118 111.7427 44.2340 0.0000 173.4069 58 N 4.5746 8.4229 118.1881 53.2286 39.5402 174.4507 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 M 8.16 4.53 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.57 0.00 2 K 8.58 3.66 0.00 1.51 1.48 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.55 7.81 3 Y 8.66 3.88 0.00 3.21 3.40 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 4 L 8.15 4.13 0.00 1.77 1.79 0.96 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 5 A 7.94 4.03 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 6 A 7.94 3.84 1.18 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 0.00 0.00 7 Y 8.07 4.04 0.00 3.09 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 8 L 8.06 4.13 0.00 1.93 1.76 0.96 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.18 4.02 0.00 1.83 1.70 0.90 0.76 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 10 L 7.79 4.06 0.00 1.89 1.96 0.80 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.28 4.37 0.00 2.97 2.90 0.00 0.00 6.86 7.64 0.00 0.00 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 7.76 4.06 1.34 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 0.00 0.00 0.00 13 A 7.50 4.13 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 14 G 9.24 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 15 N 7.51 5.06 0.00 2.68 2.68 0.00 0.00 6.89 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 16 T 8.02 4.48 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 1.35 0.00 0.00 17 P 0.00 4.91 0.00 2.21 2.18 0.00 3.80 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 18 D 8.31 4.10 0.00 2.75 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.35 4.02 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.07 4.00 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 21 K 7.91 4.37 0.00 1.74 1.76 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.40 7.81 22 I 7.64 3.40 1.97 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 1.31 0.68 0.00 0.00 23 K 7.96 3.96 0.00 2.02 1.84 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.14 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.64 7.81 24 A 7.33 3.96 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 25 I 7.90 3.66 1.73 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.33 0.82 0.00 0.00 26 L 7.55 3.91 0.00 1.52 1.54 0.48 1.12 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 27 E 8.21 4.10 0.00 2.20 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 2.31 2.39 0.00 28 S 8.24 4.13 0.00 4.01 4.17 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 0.00 0.00 0.00 0.00 29 V 7.51 3.70 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.88 0.00 0.00 30 G 7.81 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 0.00 0.00 0.00 31 I 7.17 4.42 1.81 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 1.27 0.63 0.87 0.00 0.00 32 E 8.49 4.27 0.00 1.97 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 2.30 2.32 0.00 33 I 8.14 4.22 1.92 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 1.34 0.46 1.09 0.00 0.00 34 E 8.88 4.35 0.00 2.14 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 2.37 2.44 0.00 35 D 8.75 4.44 0.00 2.70 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.02 4.02 0.00 1.97 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 2.39 2.26 0.00 37 K 7.77 3.77 0.00 1.30 0.74 0.00 1.95 0.00 0.00 1.47 0.00 0.00 2.87 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.26 1.19 7.81 38 V 7.90 3.93 2.32 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 1.28 0.00 0.00 1.27 0.00 0.00 39 S 8.36 4.15 0.00 4.08 4.17 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 0.00 0.00 0.00 0.00 40 S 8.00 4.15 0.00 4.01 4.09 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 0.00 0.00 0.00 41 V 7.59 3.50 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 -0.06 0.00 0.00 0.88 0.00 0.00 42 L 8.11 3.98 0.00 1.90 1.73 1.12 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.27 4.11 0.00 4.03 4.11 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 0.00 0.00 0.00 44 A 7.76 4.04 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 45 L 7.92 4.03 0.00 1.80 1.68 0.58 0.66 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 46 E 7.40 4.06 0.00 1.97 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 2.35 2.50 0.00 47 G 8.95 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.74 4.48 0.00 1.90 1.69 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.31 7.81 49 S 8.26 4.54 0.00 4.04 4.03 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 0.00 0.00 0.00 50 V 8.18 3.59 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 1.07 0.00 0.00 0.93 0.00 0.00 51 D 8.02 4.40 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.09 4.00 0.00 2.13 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 2.40 2.40 0.00 53 L 7.50 4.21 0.00 1.69 1.73 0.90 0.86 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 54 I 7.48 3.86 2.03 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 1.58 0.62 0.92 0.00 0.00 55 T 7.37 3.98 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 1.24 0.00 0.00 56 E 7.21 4.04 0.00 2.16 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 2.35 2.26 0.00 57 G 8.41 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 58 N 8.42 4.57 0.00 2.64 2.66 0.00 0.00 6.82 7.56 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