NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5384 8.3049 120.3269 55.4795 34.5524 175.5870 2 T 3.7876 8.2864 116.0951 61.7096 69.2179 174.2467 3 K 3.9925 8.7765 124.6442 59.7691 33.2033 178.9149 4 Q 3.8482 7.8617 120.9730 59.0114 28.9894 177.4658 5 E 3.1085 7.8243 119.6393 59.0693 29.3722 179.2064 6 K 3.8952 7.8053 119.0139 59.8710 32.1855 178.8067 7 T 3.8045 8.1547 116.1869 66.2759 68.3362 176.5985 8 A 3.9585 8.1439 123.0349 55.0786 18.3884 179.1941 9 L 3.9577 8.2184 119.1677 58.7374 42.0709 179.0804 10 N 4.2031 8.3540 116.2944 56.5160 38.3013 177.3792 11 M 4.1412 8.2486 120.1526 57.9307 32.0010 178.6466 12 A 3.9672 8.0064 121.1177 55.3381 18.8169 179.6600 13 R 3.7337 7.9373 117.3175 59.2446 29.9196 178.5708 14 F 4.2111 8.2703 120.8763 61.5127 39.4136 177.2258 15 I 3.8537 8.0298 120.9374 63.5662 36.7751 178.2783 16 R 3.9379 7.8443 119.6423 59.6741 29.9161 178.6871 17 S 4.1123 7.8706 114.3115 61.5254 62.3043 176.3368 18 Q 3.6350 7.9233 122.4595 59.7180 28.6435 178.8404 19 T 3.8751 8.0375 116.6390 66.2125 68.5085 176.4147 20 L 3.7725 7.7563 122.4749 58.5992 42.3358 179.2152 21 T 4.2871 7.9358 116.8235 65.8488 68.1962 176.4176 22 L 4.1086 7.7706 120.9613 56.9609 41.7218 178.8877 23 L 3.9191 7.9620 120.9803 58.1428 41.9479 178.5320 24 E 3.9154 8.0019 117.0080 59.6624 29.4441 179.0596 25 K 4.0747 8.0365 120.0049 58.7956 32.2593 179.3943 26 L 4.0220 8.2963 119.3473 57.3133 41.4871 178.9773 27 N 4.2884 8.1112 117.3406 56.8635 38.7290 176.8810 28 E 4.0871 8.3780 118.9044 58.6090 29.4662 177.8300 29 L 4.4493 7.7034 119.1500 53.5499 43.6632 175.9443 30 D 4.3244 7.6593 115.4611 53.8329 39.8358 174.0054 31 A 4.7102 8.1076 127.1161 49.1972 20.8209 178.0560 32 D 4.3604 8.1227 123.5446 57.6223 41.7613 176.8002 33 E 3.9632 8.1553 118.6885 59.7045 29.4787 179.2687 34 Q 4.0295 8.0902 117.1513 58.7092 28.5490 178.4601 35 A 3.9785 7.7753 121.3421 55.0209 18.6084 178.7419 36 D 4.4022 8.3922 116.9232 57.8932 41.2836 178.7566 37 I 3.7045 7.7349 119.7755 64.5564 37.0275 178.3123 38 C 4.1990 8.4265 118.0557 62.4281 27.7598 175.7072 39 E 3.9869 8.3139 121.5083 59.3514 29.2114 179.0206 40 S 4.1828 7.9870 114.8364 61.4084 62.9078 176.2330 41 L 4.0068 8.3966 123.6236 58.0545 41.6394 178.1007 42 H 4.0677 8.4211 118.9098 59.6894 29.8146 176.5780 43 D 4.3332 8.0753 118.8221 56.8497 40.9147 177.7075 44 H 4.3029 8.2118 118.2116 59.0098 30.0705 176.7324 45 A 4.0806 8.4358 123.3861 55.0295 18.2218 179.0658 46 D 4.4785 7.8758 116.4813 57.1717 41.1275 178.1547 47 E 4.1355 8.1793 119.4720 59.4675 29.3342 179.2352 48 L 4.0295 7.9893 119.1388 57.6056 41.5666 178.8245 49 Y 4.2635 7.8965 119.0991 60.8986 38.8831 177.8284 50 R 3.7869 8.4447 119.2519 59.7645 30.1817 179.2682 51 S 4.1102 8.4029 114.7535 61.8340 62.7646 176.6759 52 C 3.6962 8.4825 119.8282 62.1808 27.9031 175.6073 53 L 4.1492 8.3531 122.0414 57.5121 41.3821 178.4429 54 A 3.9602 7.6237 120.6584 54.8397 18.6158 179.0071 55 R 3.8096 7.8969 116.5385 58.9388 30.2009 178.1747 56 F 4.9349 7.5452 115.6669 58.8172 39.8440 177.5656 57 G 4.4189 8.0419 103.4677 46.0216 0.0000 172.0993 58 D 4.8792 8.3108 118.5869 52.1354 42.6350 174.7386 59 D 4.6279 8.6480 124.4635 52.8858 44.5596 173.9795 60 G 4.0667 7.6901 107.7780 46.4858 0.0000 174.2785 61 E 4.2817 7.9170 119.9266 55.5143 28.5894 175.5805 62 N 4.9155 7.9236 119.5578 51.8081 40.4825 175.2874 63 L 4.3288 8.2479 117.2160 54.9528 42.3779 176.7675 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 8.30 4.54 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 2 T 8.29 3.79 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 3 K 8.78 3.99 0.00 1.93 2.04 0.00 1.47 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.45 7.81 4 Q 7.86 3.85 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 5 E 7.82 3.11 0.00 2.18 1.51 0.00 0.00 0.00 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 2.02 0.00 6 K 7.81 3.90 0.00 1.98 1.86 0.00 1.82 0.00 0.00 1.88 0.00 0.00 3.15 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.48 1.56 7.81 7 T 8.15 3.80 4.29 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 1.16 0.00 0.00 8 A 8.14 3.96 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 9 L 8.22 3.96 0.00 1.96 1.84 1.32 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.35 4.20 0.00 2.99 2.80 0.00 0.00 7.07 8.64 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 11 M 8.25 4.14 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.52 0.00 12 A 8.01 3.97 1.42 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 0.00 0.00 0.00 13 R 7.94 3.73 0.00 0.84 1.78 0.00 2.98 0.00 0.00 3.07 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 14 F 8.27 4.21 0.00 3.16 3.24 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 15 I 8.03 3.85 1.98 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.45 0.87 0.00 0.00 16 R 7.84 3.94 0.00 1.89 2.06 0.00 3.35 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 1.54 1.62 0.00 17 S 7.87 4.11 0.00 3.83 3.87 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 0.00 0.00 0.00 18 Q 7.92 3.63 0.00 0.93 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.96 0.00 0.00 0.00 0.00 0.00 2.20 2.19 0.00 19 T 8.04 3.88 4.44 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 1.24 0.00 0.00 20 L 7.76 3.77 0.00 1.83 1.75 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.94 4.29 4.33 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 1.23 0.00 0.00 22 L 7.77 4.11 0.00 1.83 1.69 0.90 0.45 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 23 L 7.96 3.92 0.00 1.66 1.75 0.97 0.84 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 24 E 8.00 3.92 0.00 2.45 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 25 K 8.04 4.07 0.00 1.93 1.91 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.62 7.81 26 L 8.30 4.02 0.00 1.94 1.85 0.94 0.82 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 27 N 8.11 4.29 0.00 2.90 2.93 0.00 0.00 7.17 6.95 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 28 E 8.38 4.09 0.00 2.11 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 2.34 2.44 0.00 29 L 7.70 4.45 0.00 1.73 1.75 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.66 4.32 0.00 2.79 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.11 4.71 1.32 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 0.00 0.00 32 D 8.12 4.36 0.00 2.79 2.67 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 0.00 0.00 0.00 0.00 33 E 8.16 3.96 0.00 2.09 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 2.47 0.00 34 Q 8.09 4.03 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 35 A 7.78 3.98 1.42 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 0.00 0.00 0.00 36 D 8.39 4.40 0.00 2.76 2.87 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 0.00 0.00 0.00 37 I 7.73 3.70 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 1.52 0.70 0.92 0.00 0.00 38 C 8.43 4.20 0.00 3.14 3.10 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 39 E 8.31 3.99 0.00 2.02 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 2.34 0.00 40 S 7.99 4.18 0.00 3.92 3.90 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 0.00 0.00 0.00 41 L 8.40 4.01 0.00 1.84 1.83 0.93 0.81 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 42 H 8.42 4.07 0.00 3.39 3.48 0.00 5.83 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.08 4.33 0.00 2.81 2.65 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 0.00 0.00 0.00 0.00 44 H 8.21 4.30 0.00 3.23 3.31 0.00 6.00 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.44 4.08 1.38 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 0.00 0.00 0.00 46 D 7.88 4.48 0.00 2.74 2.97 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 0.00 0.00 0.00 47 E 8.18 4.14 0.00 2.32 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 2.55 2.59 0.00 48 L 7.99 4.03 0.00 1.89 1.77 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 7.90 4.26 0.00 2.93 3.15 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 50 R 8.44 3.79 0.00 1.97 1.92 0.00 3.13 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.94 0.00 51 S 8.40 4.11 0.00 3.86 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 52 C 8.48 3.70 0.00 3.33 3.31 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 53 L 8.35 4.15 0.00 1.85 1.76 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.62 3.96 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 55 R 7.90 3.81 0.00 1.39 0.85 0.00 3.27 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.62 0.00 56 F 7.55 4.93 0.00 3.25 3.17 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 57 G 8.04 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 0.00 0.00 0.00 0.00 58 D 8.31 4.88 0.00 2.92 2.65 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 0.00 0.00 0.00 0.00 59 D 8.65 4.63 0.00 2.73 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.69 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 0.00 0.00 0.00 61 E 7.92 4.28 0.00 1.99 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 2.46 2.25 0.00 62 N 7.92 4.92 0.00 2.78 2.77 0.00 0.00 6.10 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.25 4.33 0.00 1.60 1.55 0.91 0.79 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