NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3227 8.4449 118.7960 56.1699 31.9753 177.0573 4 R 3.9297 7.8087 118.0232 54.3356 32.1664 174.7589 5 P 4.1998 0.0000 0.0000 66.1302 31.7575 178.5507 6 L 3.8708 7.8501 118.0766 57.8481 42.0001 178.4711 7 D 4.3295 7.9044 118.6346 57.3481 40.6391 178.6479 8 V 3.5551 7.5208 117.0913 66.1128 31.8252 177.7834 9 I 3.6858 7.4652 119.1585 64.4946 36.8504 177.8538 10 H 4.1828 8.1962 119.3222 59.4062 29.5431 177.3889 11 R 4.0823 7.9806 117.8940 58.2334 30.2381 178.0247 12 S 4.5113 7.7711 114.2900 57.3125 63.2294 173.8770 13 L 4.3157 7.2767 122.9854 56.4162 41.7618 176.6036 14 D 4.5177 9.8889 122.3010 55.2518 39.1836 173.5713 15 K 4.7882 7.7259 116.4732 54.2549 36.7284 175.4011 16 D 5.0883 8.5735 121.8077 54.7817 42.5943 175.3653 17 V 4.9912 8.9196 117.0646 59.8261 37.0128 173.4845 18 L 5.0853 8.9701 124.7762 53.3872 44.5897 175.1555 19 V 4.6947 9.1734 126.9520 61.3931 33.5885 174.2018 20 I 4.5057 8.8397 130.4586 60.5644 38.5333 175.6319 21 L 4.8580 8.3096 128.9747 53.1736 44.1345 175.7596 22 K 4.4968 8.5153 118.0652 57.3077 34.4922 176.4087 23 K 4.0615 8.6725 118.5716 56.3649 29.0304 177.4783 24 G 3.9131 8.2856 106.3168 45.6699 0.0000 173.0851 25 F 4.8780 7.9192 118.1889 56.4196 41.0504 174.5349 26 E 5.1206 8.7534 118.2925 55.4496 33.4166 173.7338 27 F 5.4662 9.3439 119.4376 55.8214 42.7097 174.4350 28 R 5.0528 9.1217 121.7750 54.3402 33.6502 174.6470 29 G 4.3731 8.1866 111.5025 46.2941 0.0000 171.1727 30 R 4.7578 8.0340 120.8357 55.1950 30.9394 175.3811 31 L 4.7566 8.7770 130.1050 55.1287 42.7692 176.7505 32 I 4.5488 8.3840 118.3801 60.2054 39.0134 175.1265 33 G 4.1802 7.7321 108.4728 46.4906 0.0000 171.6488 34 Y 5.4626 7.7869 117.7340 56.7662 40.7444 172.0417 35 D 4.7954 8.7043 118.2673 51.4406 42.7493 176.3099 36 I 3.7214 8.3030 119.1333 64.6995 36.9615 177.0124 37 H 4.5815 8.1640 115.1626 55.5793 28.5509 175.3405 38 L 3.7734 8.1046 118.3108 55.6779 39.7160 174.0929 39 N 4.8914 8.2251 116.0127 53.3379 39.9486 174.6568 40 V 5.0557 8.8579 115.3367 59.5556 36.7478 174.5162 41 V 4.8001 8.7228 121.6037 61.2049 34.2137 174.2726 42 L 5.3969 9.1564 127.3578 52.9227 45.1761 175.3151 43 A 4.9575 9.0787 123.9264 50.3558 21.9785 176.0596 44 D 4.6452 8.5536 118.3880 55.3015 39.1710 173.4698 45 A 5.1199 8.2504 121.1151 50.9999 21.9708 177.5930 46 E 5.2241 9.2636 116.6381 54.8938 33.5642 174.1788 47 M 4.7454 9.4831 122.8451 54.6541 34.1787 174.6211 48 I 4.8992 8.9980 127.1440 59.5574 40.6571 174.4535 49 Q 3.9713 8.5226 126.9824 54.9806 32.3019 174.4585 50 D 4.3233 8.7106 121.2053 54.9084 40.3152 174.3685 51 G 3.8858 8.3096 103.7546 44.9196 0.0000 173.0453 52 E 4.5633 7.9023 121.0578 53.4511 31.8494 175.3832 53 V 4.0345 8.3752 125.7022 63.5218 31.9582 175.6597 54 V 4.4019 8.4670 119.1554 61.2809 33.8351 175.3850 55 K 4.3329 7.4888 119.2948 55.5927 35.3178 173.8621 56 R 5.0511 8.0907 122.3682 54.6107 33.8507 174.5695 57 Y 4.7434 9.1521 119.0853 56.4037 42.1150 176.7052 58 G 3.6782 9.0579 110.9772 48.9611 0.0000 173.3738 59 K 5.2250 7.8680 119.7591 54.7845 35.6110 175.3049 60 I 4.4602 8.8529 126.3866 59.5266 41.9510 173.3426 61 V 4.6496 8.2356 128.7585 61.4237 32.8877 174.5225 62 I 4.3331 8.6539 129.4681 59.3572 39.7400 175.5492 63 R 4.4958 8.5161 126.3662 55.5813 30.8177 177.9532 64 G 3.7368 9.8966 112.8691 48.4744 0.0000 175.1136 65 D 4.2613 8.1549 118.3965 56.7677 41.2524 176.3222 66 N 4.7245 7.8215 113.5649 52.8682 39.0562 174.8504 67 V 4.0194 7.6545 119.8664 62.1583 32.4810 175.2817 68 L 4.3587 9.0359 130.1483 57.5368 42.6540 176.0476 69 A 4.6709 7.5544 117.5967 51.2738 22.8648 174.7948 70 I 5.0843 8.1616 118.8625 59.7852 41.1184 175.1219 71 S 4.6888 9.1312 121.2138 55.7648 65.4394 171.1882 72 P 4.6992 0.0000 0.0000 62.4331 32.0207 176.4843 73 T 4.1437 8.7017 120.5592 63.8913 67.9611 174.3891 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 3 E 8.44 4.32 0.00 2.09 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 2.17 2.34 0.00 4 R 7.81 3.93 0.00 2.15 1.88 0.00 3.16 0.00 0.00 3.34 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 5 P 0.00 4.20 0.00 2.13 2.10 0.00 3.58 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 2.11 2.16 0.00 6 L 7.85 3.87 0.00 1.74 1.65 0.89 1.31 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 7 D 7.90 4.33 0.00 3.00 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 8 V 7.52 3.56 2.17 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 0.80 0.00 0.00 0.94 0.00 0.00 9 I 7.47 3.69 1.38 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.67 0.25 0.00 0.00 10 H 8.20 4.18 0.00 3.36 3.49 0.00 5.78 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 11 R 7.98 4.08 0.00 1.97 1.97 0.00 3.20 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 12 S 7.77 4.51 0.00 4.00 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 13 L 7.28 4.32 0.00 1.68 1.63 0.97 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 14 D 9.89 4.52 0.00 2.84 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.73 4.79 0.00 1.74 1.64 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.49 7.81 16 D 8.57 5.09 0.00 2.74 2.54 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 0.00 0.00 0.00 0.00 17 V 8.92 4.99 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 0.65 0.00 0.00 0.99 0.00 0.00 18 L 8.97 5.09 0.00 1.74 1.52 1.01 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.17 4.69 2.28 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 1.10 0.00 0.00 0.98 0.00 0.00 20 I 8.84 4.51 1.90 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 1.25 0.50 0.94 0.00 0.00 21 L 8.31 4.86 0.00 1.87 1.67 1.16 1.14 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 22 K 8.52 4.50 0.00 1.87 1.81 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.43 7.81 23 K 8.67 4.06 0.00 2.17 2.43 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.62 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.32 1.39 7.81 24 G 8.29 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 25 F 7.92 4.88 0.00 3.13 2.84 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 0.00 0.00 0.00 26 E 8.75 5.12 0.00 2.14 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 2.27 2.27 0.00 27 F 9.34 5.47 0.00 3.06 2.95 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 28 R 9.12 5.05 0.00 1.91 1.78 0.00 3.20 0.00 0.00 3.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 29 G 8.19 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 0.00 0.00 0.00 0.00 30 R 8.03 4.76 0.00 1.94 1.97 0.00 3.10 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 31 L 8.78 4.76 0.00 1.85 1.74 1.07 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.38 4.55 1.88 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 1.32 0.85 0.98 0.00 0.00 33 G 7.73 4.18 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 0.00 34 Y 7.79 5.46 0.00 2.99 2.92 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 35 D 8.70 4.80 0.00 2.85 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 36 I 8.30 3.72 1.72 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 1.37 0.76 0.90 0.00 0.00 37 H 8.16 4.58 0.00 3.31 3.32 0.00 5.77 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.10 3.77 0.00 1.83 1.80 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.23 4.89 0.00 2.95 2.73 0.00 0.00 6.78 7.68 0.00 0.00 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 V 8.86 5.06 2.11 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 0.80 0.00 0.00 0.91 0.00 0.00 41 V 8.72 4.80 2.08 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 0.95 0.00 0.00 0.91 0.00 0.00 42 L 9.16 5.40 0.00 1.50 1.51 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 43 A 9.08 4.96 1.22 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 0.00 0.00 0.00 44 D 8.55 4.65 0.00 2.75 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 5.12 1.39 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 0.00 0.00 46 E 9.26 5.22 0.00 2.04 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 0.00 2.43 2.30 0.00 47 M 9.48 4.75 0.00 2.20 2.36 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.53 0.00 48 I 9.00 4.90 1.78 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 1.09 0.88 0.84 0.00 0.00 49 Q 8.52 3.97 0.00 0.93 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.09 0.00 0.00 0.00 0.00 0.00 1.87 1.36 0.00 50 D 8.71 4.32 0.00 2.78 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.31 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 52 E 7.90 4.56 0.00 1.90 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 0.00 2.13 2.16 0.00 53 V 8.38 4.03 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 54 V 8.47 4.40 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 0.77 0.00 0.00 0.97 0.00 0.00 55 K 7.49 4.33 0.00 1.75 1.54 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.38 1.12 7.81 56 R 8.09 5.05 0.00 1.56 1.71 0.00 3.17 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 57 Y 9.15 4.74 0.00 2.89 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.06 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.87 5.23 0.00 1.74 1.64 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.57 7.81 60 I 8.85 4.46 1.55 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.53 0.67 0.00 0.00 61 V 8.24 4.65 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 0.85 0.00 0.00 0.88 0.00 0.00 62 I 8.65 4.33 1.72 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.12 0.85 0.00 0.00 63 R 8.52 4.50 0.00 1.85 1.84 0.00 3.11 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.59 0.00 64 G 9.90 3.74 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 0.00 0.00 0.00 65 D 8.15 4.26 0.00 2.64 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 4.72 0.00 2.81 2.85 0.00 0.00 6.93 7.27 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 67 V 7.65 4.02 2.22 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 0.84 0.00 0.00 1.03 0.00 0.00 68 L 9.04 4.36 0.00 1.66 1.89 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.55 4.67 1.22 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 0.00 0.00 0.00 70 I 8.16 5.08 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 1.25 0.72 0.95 0.00 0.00 71 S 9.13 4.69 0.00 3.83 3.66 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 72 P 0.00 4.70 0.00 1.97 1.96 0.00 3.73 0.00 0.00 3.64 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 73 T 8.70 4.14 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 1.22 0.00 0.00