NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 D 4.5935 8.2233 120.1923 53.9477 42.7149 175.5485 10 E 3.7237 8.9737 127.1274 59.4560 29.4045 177.8784 11 D 4.3940 8.3960 118.4821 57.4848 41.3462 178.3205 12 L 3.0777 7.4833 120.0920 57.8581 41.9925 178.7919 13 L 3.8838 7.5400 118.5452 57.8459 41.6940 179.4749 14 K 3.8619 8.0098 119.0896 59.4069 32.0698 178.6699 15 A 3.9523 8.0419 121.0985 55.0756 18.2102 179.8392 16 V 3.4885 7.8377 116.8784 66.2608 31.7667 178.2242 17 R 3.9357 8.1013 117.9395 59.3517 29.9081 178.8542 18 L 4.0714 7.9196 119.6537 58.2520 42.1474 178.9591 19 I 3.7213 7.9396 119.8576 64.1970 36.9902 178.1219 20 K 4.0133 8.4792 120.7880 59.7847 31.9883 178.3673 21 F 4.4276 8.2353 120.4095 61.5996 39.0109 177.0701 22 L 3.7569 7.8101 117.3326 57.3204 41.4668 178.5238 23 Y 4.2852 7.6958 116.5290 60.5381 37.8208 177.8023 24 Q 4.0738 8.1458 118.3307 58.2781 29.1897 177.6545 25 S 4.1613 7.3583 114.5000 58.9293 64.0017 173.5115 26 N 4.2513 8.4619 117.8278 53.9485 35.5079 171.4183 27 P 5.0784 0.0000 0.0000 60.7187 34.5963 174.3073 28 P 3.2854 0.0000 0.0000 62.1672 32.9324 175.4420 29 P 4.3034 0.0000 0.0000 64.5189 29.4189 175.8442 30 N 4.7206 8.9269 109.3601 52.9043 41.4437 172.1954 31 P 4.7393 0.0000 0.0000 61.4437 33.2389 174.9908 32 E 4.6091 8.4904 119.5114 54.4954 32.6453 175.4142 33 G 4.0097 8.5293 112.9405 44.5490 0.0000 173.2130 34 T 4.2036 8.2113 110.2758 60.3561 71.3343 172.6160 35 R 3.9263 8.6147 124.3736 57.8526 30.2133 178.2438 36 Q 3.5830 8.9289 120.3555 57.3235 28.0571 175.5117 37 A 4.2259 7.9986 118.4612 54.0850 18.8047 179.3963 38 R 3.9783 8.1982 118.1172 59.7524 29.9873 178.7510 39 R 4.0798 7.9132 116.4566 58.1788 30.0001 178.2614 40 N 4.3363 7.6720 116.5303 56.7775 38.9427 176.8719 41 R 4.1108 7.7104 118.1582 58.3620 30.1606 179.1586 42 R 4.0590 7.8782 118.1121 59.3958 30.2173 178.6145 43 R 3.9431 7.6655 117.4097 59.4408 30.1297 179.1007 44 R 3.8754 7.7053 118.1941 59.3823 30.1263 178.4738 45 W 4.0409 8.9674 128.7065 60.1076 30.6298 178.3033 46 R 3.8686 8.7660 118.6065 59.2377 29.5819 178.4619 47 E 3.8602 8.1092 118.3080 59.6208 29.5439 179.6367 48 R 3.6659 7.7678 118.2283 59.4519 30.0973 178.3792 49 Q 3.5584 7.5388 119.4585 58.9693 28.7967 178.1245 50 R 3.8958 8.3835 119.5026 59.3622 30.0141 178.5572 51 Q 3.9167 7.9699 119.4272 58.9695 29.0354 177.8539 52 I 3.4258 7.6284 120.5782 64.8281 37.0985 177.4286 53 H 4.2930 8.7418 120.5663 58.9090 29.6505 177.3451 54 S 4.1447 7.9401 115.8167 61.3675 62.7923 176.5155 55 I 3.6619 7.8597 123.3152 64.3142 36.8356 178.4489 56 S 4.1155 8.1816 116.1251 61.5572 62.7031 176.0604 57 E 3.9333 8.3793 122.1272 59.6938 29.0196 179.2739 58 R 4.0130 8.0302 118.8219 58.8201 29.9761 179.0921 59 I 3.8746 8.0074 118.5387 64.5530 37.4518 178.2631 60 L 4.3460 8.4334 120.3498 57.7829 41.4955 179.4454 61 S 4.4377 8.3082 114.5021 61.7874 62.3800 176.5502 62 T 4.0943 7.5590 110.5464 63.6786 68.5923 174.5840 63 Y 4.5362 8.1209 118.9885 57.6856 37.3462 175.6131 64 L 4.6373 7.5729 116.3963 52.9146 44.9466 176.9971 65 G 3.7476 7.9103 113.9201 46.7608 0.0000 172.0081 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 9 D 8.22 4.59 0.00 2.73 2.66 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 10 E 8.97 3.72 0.00 2.11 2.03 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 2.42 2.41 0.00 11 D 8.40 4.39 0.00 3.10 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 12 L 7.48 3.08 0.00 1.37 1.72 0.40 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.54 3.88 0.00 1.83 1.68 0.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.01 3.86 0.00 2.01 1.90 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.45 7.81 15 A 8.04 3.95 1.17 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 0.00 0.00 16 V 7.84 3.49 2.15 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 1.10 0.00 0.00 0.85 0.00 0.00 17 R 8.10 3.94 0.00 2.11 1.99 0.00 3.24 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 18 L 7.92 4.07 0.00 1.90 1.96 1.05 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.94 3.72 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.02 1.10 0.00 0.00 20 K 8.48 4.01 0.00 2.12 1.92 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.50 7.81 21 F 8.24 4.43 0.00 3.18 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 22 L 7.81 3.76 0.00 1.68 1.42 0.97 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 7.70 4.29 0.00 3.18 2.94 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 0.00 0.00 0.00 24 Q 8.15 4.07 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.64 0.00 25 S 7.36 4.16 0.00 3.41 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.46 4.25 0.00 2.79 2.87 0.00 0.00 6.94 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 5.08 0.00 2.19 2.29 0.00 3.88 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 1.97 2.10 0.00 28 P 0.00 3.29 0.00 1.90 1.66 0.00 3.73 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 29 P 0.00 4.30 0.00 2.11 1.58 0.00 3.19 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.86 0.00 30 N 8.93 4.72 0.00 2.76 2.77 0.00 0.00 6.76 8.02 0.00 0.00 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 P 0.00 4.74 0.00 2.13 1.97 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.92 0.00 32 E 8.49 4.61 0.00 1.91 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 33 G 8.53 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 34 T 8.21 4.20 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 35 R 8.61 3.93 0.00 1.89 1.96 0.00 3.26 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 36 Q 8.93 3.58 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 37 A 8.00 4.23 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 38 R 8.20 3.98 0.00 2.09 1.93 0.00 3.08 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.86 0.00 39 R 7.91 4.08 0.00 1.95 1.97 0.00 3.24 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 40 N 7.67 4.34 0.00 3.03 2.98 0.00 0.00 7.05 7.53 0.00 0.00 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 R 7.71 4.11 0.00 2.06 2.01 0.00 3.20 0.00 0.00 3.18 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 42 R 7.88 4.06 0.00 2.11 2.04 0.00 3.16 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 43 R 7.67 3.94 0.00 2.04 2.02 0.00 3.14 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 44 R 7.71 3.88 0.00 1.87 2.18 0.00 3.12 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 1.68 1.66 0.00 45 W 8.97 4.04 0.00 3.51 3.27 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 0.00 0.00 0.00 46 R 8.77 3.87 0.00 2.09 1.97 0.00 3.24 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.95 0.00 47 E 8.11 3.86 0.00 2.23 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 2.31 2.38 0.00 48 R 7.77 3.67 0.00 1.78 1.67 0.00 2.98 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.37 0.00 49 Q 7.54 3.56 0.00 1.06 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.55 0.00 0.00 0.00 0.00 0.00 2.00 1.80 0.00 50 R 8.38 3.90 0.00 1.99 1.91 0.00 3.16 0.00 0.00 3.05 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 51 Q 7.97 3.92 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 52 I 7.63 3.43 1.38 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.36 -0.06 0.00 0.00 53 H 8.74 4.29 0.00 3.42 3.47 0.00 5.83 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.94 4.14 0.00 4.04 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 55 I 7.86 3.66 1.79 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 1.48 0.62 0.88 0.00 0.00 56 S 8.18 4.12 0.00 4.04 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 57 E 8.38 3.93 0.00 2.29 2.15 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 2.34 2.41 0.00 58 R 8.03 4.01 0.00 2.17 1.97 0.00 3.22 0.00 0.00 3.33 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 59 I 8.01 3.87 1.94 0.00 0.00 0.88 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 0.75 1.08 0.00 0.00 60 L 8.43 4.35 0.00 1.79 1.76 0.98 0.72 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 61 S 8.31 4.44 0.00 4.08 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 0.00 62 T 7.56 4.09 4.02 0.00 0.00 0.00 0.00 0.00 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 63 Y 8.12 4.54 0.00 3.08 3.01 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 64 L 7.57 4.64 0.00 1.65 1.53 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 65 G 7.91 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00