NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1312 8.0249 120.7843 60.9099 38.4422 174.0085 2 V 4.6103 7.5795 128.7043 62.0187 37.8055 174.4434 3 C 4.7107 9.8106 123.5611 57.9722 40.5722 174.7836 4 H 5.0744 8.6133 116.3856 54.6427 31.7166 173.5117 5 T 4.5404 8.6247 120.1451 62.7389 69.4699 175.1310 6 T 4.8049 8.1474 123.7804 62.5601 70.8866 173.8683 7 A 4.2101 7.5570 127.6150 52.5883 22.3609 176.1468 8 T 4.4359 7.9041 101.7068 63.4804 71.6649 175.4386 9 S 4.3463 7.9372 114.5690 59.3479 63.4256 174.9615 10 P 4.2541 0.0000 0.0000 64.6400 31.4348 175.7929 11 I 4.4043 6.9841 111.2166 61.0643 40.2006 174.8220 12 S 3.7572 7.3586 108.6119 60.4709 62.0089 170.8531 13 A 4.4296 7.8553 123.7954 51.6798 19.5223 179.3690 14 V 4.4176 8.7362 114.1677 62.0242 34.2844 170.6614 15 T 4.2823 7.7694 113.2058 61.6248 71.4751 177.2402 16 C 4.6993 7.2889 121.4629 53.9093 42.9005 172.4777 17 P 4.3034 0.0000 0.0000 65.6064 30.9928 176.1142 18 P 4.4605 0.0000 0.0000 62.3498 31.3153 174.8955 19 G 4.1047 7.9552 106.4623 44.5653 0.0000 169.8894 20 E 3.6679 8.4915 122.9990 56.1266 29.3534 177.5486 21 N 3.7809 9.2300 114.1292 51.0851 40.0660 174.3255 22 L 3.5290 7.1468 115.8616 53.9998 41.5015 174.2316 23 C 6.3000 8.1492 129.4993 56.8181 43.9328 172.3611 24 Y 4.7316 6.6638 117.9849 56.6356 38.9331 176.1294 25 R 4.8594 8.1665 117.3851 54.7325 30.3343 175.7600 26 K 4.2119 7.4244 119.8240 56.2622 33.7681 176.3420 27 M 4.8393 8.2188 119.6351 54.3153 34.2701 173.4090 28 W 3.6964 8.2818 127.1345 56.5031 29.0345 174.8969 29 C 4.7585 8.7231 116.3328 56.9998 39.8097 173.3443 30 D 4.4970 7.3062 119.9859 55.1358 40.5781 174.6582 31 A 4.0547 7.3054 123.1943 53.0233 19.1851 176.9147 32 F 5.0813 7.4296 104.8237 56.3230 40.7338 176.1362 33 C 4.7521 8.3708 121.8237 56.0789 41.1275 174.2583 34 S 4.1937 7.9631 110.5887 58.5834 62.9595 174.9908 35 S 4.2260 7.3684 113.8326 59.9786 59.6559 175.1411 36 R 3.3725 7.6107 114.3211 57.1467 27.9144 174.2501 37 G 4.1216 7.4107 112.1777 45.0477 0.0000 170.7392 38 K 4.3738 8.5212 122.1253 56.2535 33.0969 176.2767 39 V 4.4667 6.9810 110.7646 59.9078 36.3465 173.5556 40 V 3.4566 9.1084 123.8862 63.7873 29.9810 175.1938 41 E 4.4510 7.6191 125.4309 54.4578 36.2775 175.1707 42 L 4.8565 6.8954 118.6738 56.1044 44.4412 175.8609 43 G 3.9656 7.4258 115.5431 45.5665 0.0000 176.7582 44 C 4.9372 7.8926 127.1217 56.1308 44.1940 170.9618 45 A 4.1017 7.2814 128.4285 53.4325 20.4375 177.5053 46 A 4.0673 8.3985 114.0990 51.9678 16.5526 177.8988 47 T 4.0352 6.2868 108.2407 63.4123 73.3555 171.8602 48 C 5.0219 8.6945 112.1011 55.3423 39.8331 171.5706 49 P 4.3701 0.0000 0.0000 64.9471 32.0489 176.8622 50 S 4.4692 7.2201 111.7067 57.0409 66.8897 169.9575 51 K 4.0117 8.3855 124.7766 55.8604 30.2807 175.6917 52 K 4.2859 7.9203 122.6839 54.1073 33.5352 176.3151 53 P 4.7870 0.0000 0.0000 65.3883 31.3284 178.6895 54 Y 4.2805 7.4028 115.0198 59.0179 37.3152 175.6264 55 E 4.2065 6.6818 114.8442 55.1106 31.9255 175.3636 56 E 5.1631 7.4584 123.2588 54.3866 32.7826 178.5449 57 V 3.0868 7.0167 120.5199 61.3594 34.2795 177.2490 58 T 4.8727 7.8848 119.7415 61.5027 67.1162 169.6311 59 C 5.0824 7.6627 115.2396 54.9225 44.6848 173.8428 60 C 4.1706 9.0234 119.7802 57.2043 40.6296 174.8665 61 S 3.8654 8.3673 110.8182 58.8448 60.8632 171.2690 62 T 4.5760 7.2778 107.4365 60.2285 70.6818 172.0933 63 D 4.6136 8.6483 120.5801 53.6454 39.6414 175.4437 64 K 4.1163 8.6131 116.9328 59.0522 32.0406 177.5333 65 C 4.2149 8.9407 118.8588 55.1672 44.1293 173.1578 66 N 4.5851 8.0350 114.8025 51.4904 36.7335 171.4518 67 P 4.2211 0.0000 0.0000 63.9244 31.5733 176.2050 68 H 5.4197 7.2264 133.3092 54.5106 27.7730 172.6194 69 P 4.1851 0.0000 0.0000 64.0678 32.0387 178.8526 70 K 3.7991 7.8473 118.1144 56.8701 31.5005 174.0415 71 Q 4.7408 7.8682 111.8583 56.4607 30.3887 173.8246 72 R 4.2853 8.0548 120.7242 58.3456 31.6385 177.1002 73 P 4.3592 0.0000 0.0000 64.5347 31.5799 176.6656 74 G 3.7739 7.7676 109.7911 46.3781 0.0000 172.8994 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 I 8.02 4.13 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 1.40 1.47 0.95 0.00 0.00 2 V 7.58 4.61 2.05 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 0.78 0.00 0.00 0.94 0.00 0.00 3 C 9.81 4.71 0.00 2.82 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.61 5.07 0.00 3.41 3.24 0.00 5.71 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.62 4.54 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 1.22 0.00 0.00 6 T 8.15 4.80 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 1.22 0.00 0.00 7 A 7.56 4.21 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.90 4.44 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 9 S 7.94 4.35 0.00 3.87 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 10 P 0.00 4.25 0.00 2.07 2.12 0.00 3.70 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 2.03 2.09 0.00 11 I 6.98 4.40 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 1.43 0.46 0.92 0.00 0.00 12 S 7.36 3.76 0.00 4.07 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 13 A 7.86 4.43 1.05 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 0.00 0.00 14 V 8.74 4.42 2.06 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 0.88 0.00 0.00 0.92 0.00 0.00 15 T 7.77 4.28 4.21 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 0.00 0.00 0.00 1.20 0.00 0.00 16 C 7.29 4.70 0.00 2.97 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 17 P 0.00 4.30 0.00 2.02 2.09 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 18 P 0.00 4.46 0.00 1.99 2.02 0.00 3.58 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 19 G 7.96 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 20 E 8.49 3.67 0.00 2.34 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 2.29 2.30 0.00 21 N 9.23 3.78 0.00 2.72 2.63 0.00 0.00 7.10 6.85 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 22 L 7.15 3.53 0.00 1.77 1.63 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 23 C 8.15 6.30 0.00 3.03 3.21 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 0.00 0.00 0.00 0.00 24 Y 6.66 4.73 0.00 3.12 3.29 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 25 R 8.17 4.86 0.00 1.82 1.91 0.00 3.47 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 26 K 7.42 4.21 0.00 1.58 1.54 0.00 0.81 0.00 0.00 0.61 0.00 0.00 2.55 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.04 0.98 7.81 27 M 8.22 4.84 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.88 0.00 28 W 8.28 3.70 0.00 3.41 3.21 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 0.00 0.00 0.00 0.00 29 C 8.72 4.76 0.00 2.92 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 30 D 7.31 4.50 0.00 3.04 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 7.31 4.05 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.43 5.08 0.00 3.34 3.09 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 33 C 8.37 4.75 0.00 2.70 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 7.96 4.19 0.00 4.02 3.95 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 0.00 0.00 0.00 35 S 7.37 4.23 0.00 3.83 3.70 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 36 R 7.61 3.37 0.00 1.84 1.81 0.00 3.34 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 37 G 7.41 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.52 4.37 0.00 1.91 1.86 0.00 1.52 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.22 1.25 7.81 39 V 6.98 4.47 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 0.63 0.00 0.00 0.77 0.00 0.00 40 V 9.11 3.46 2.10 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 0.59 0.00 0.00 0.84 0.00 0.00 41 E 7.62 4.45 0.00 1.83 1.67 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 2.07 2.20 0.00 42 L 6.90 4.86 0.00 1.82 1.71 0.96 0.49 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 43 G 7.43 3.97 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 0.00 0.00 0.00 44 C 7.89 4.94 0.00 2.80 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 45 A 7.28 4.10 1.03 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 0.00 0.00 46 A 8.40 4.07 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 47 T 6.29 4.04 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 1.22 0.00 0.00 48 C 8.69 5.02 0.00 2.98 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 49 P 0.00 4.37 0.00 2.22 2.19 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 50 S 7.22 4.47 0.00 3.84 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 51 K 8.39 4.01 0.00 1.93 1.98 0.00 1.76 0.00 0.00 1.50 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.68 7.81 52 K 7.92 4.29 0.00 1.14 0.74 0.00 1.85 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.44 7.81 53 P 0.00 4.79 0.00 2.14 2.05 0.00 3.41 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 54 Y 7.40 4.28 0.00 3.02 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 55 E 6.68 4.21 0.00 2.07 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 1.76 2.20 0.00 56 E 7.46 5.16 0.00 2.00 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 2.51 2.27 0.00 57 V 7.02 3.09 2.05 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 0.94 0.00 0.00 0.93 0.00 0.00 58 T 7.88 4.87 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 1.18 0.00 0.00 59 C 7.66 5.08 0.00 3.11 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.02 4.17 0.00 3.04 3.18 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 61 S 8.37 3.87 0.00 3.99 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 7.28 4.58 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 1.29 0.00 0.00 63 D 8.65 4.61 0.00 2.78 2.79 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 0.00 0.00 0.00 0.00 64 K 8.61 4.12 0.00 1.85 2.04 0.00 1.83 0.00 0.00 2.25 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.50 7.81 65 C 8.94 4.21 0.00 3.29 3.33 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 66 N 8.04 4.59 0.00 3.00 2.88 0.00 0.00 6.89 8.03 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 67 P 0.00 4.22 0.00 1.99 2.00 0.00 3.89 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.88 0.00 68 H 7.23 5.42 0.00 3.40 3.47 0.00 5.52 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.19 0.00 2.20 2.20 0.00 3.93 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 70 K 7.85 3.80 0.00 1.95 1.91 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.44 7.81 71 Q 7.87 4.74 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.95 0.00 0.00 0.00 0.00 0.00 2.12 2.24 0.00 72 R 8.05 4.29 0.00 1.84 1.96 0.00 3.28 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 73 P 0.00 4.36 0.00 2.04 2.11 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 74 G 7.77 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00