NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.5866 8.4249 119.2046 53.7830 38.8815 172.2697 3 T 4.1527 7.9604 118.4556 60.5246 68.2001 170.6750 4 E 4.5884 9.0637 127.6312 54.6259 33.0469 175.7292 5 E 4.5211 8.4630 123.0970 55.3993 28.4581 177.3461 6 T 4.3991 7.5004 114.6744 63.4422 68.7362 174.3673 7 T 4.4087 8.1559 122.2465 61.6605 70.2039 174.1877 8 K 4.6142 8.6780 126.3246 55.9472 33.0798 175.8765 9 A 5.1700 8.9861 126.2999 50.0371 22.8148 174.8705 10 R 4.6284 8.9653 116.7256 54.0815 33.2188 175.1811 11 I 4.1924 8.0747 121.1188 62.0242 37.5411 176.3588 12 M 4.1632 9.4393 128.7202 57.8054 32.6580 176.0076 13 D 4.7103 7.6761 117.1014 52.6974 45.8110 174.4431 14 V 3.7974 8.4645 123.6542 63.1747 31.1963 175.4322 15 L 4.0029 8.7656 130.6284 56.3797 41.1771 180.0399 16 G 4.0854 8.3217 112.8102 45.9695 0.0000 171.7726 17 K 5.1208 8.6695 118.4487 55.3468 34.7415 175.9753 18 T 4.4427 8.3043 118.8948 62.9227 73.2646 171.1554 19 G 3.7321 8.7985 115.6487 45.4900 0.0000 174.7505 20 S 4.0253 8.7162 120.8413 59.9658 63.3589 175.9670 21 R 4.0176 8.1228 119.4281 57.0735 29.8690 176.7740 22 G 3.9911 8.4798 107.2480 46.4542 0.0000 174.8438 23 G 4.0857 7.6201 106.2866 44.8137 0.0000 174.0523 24 I 4.1304 7.6222 120.5503 61.3910 38.7736 175.1134 25 T 5.0025 8.6127 121.5496 61.8236 72.1627 172.6706 26 Q 5.0333 8.8580 126.4103 54.5002 31.5122 174.4775 27 V 4.8508 9.0737 125.2696 61.1829 35.8309 173.7006 28 R 4.8244 8.9881 127.3959 55.5394 31.5819 175.4729 29 V 4.9339 9.5895 126.3726 61.1693 35.3411 174.1085 30 V 4.7183 8.7004 122.8897 61.1451 34.9850 174.6188 31 L 4.8121 8.0301 125.3545 54.1531 44.4239 176.3353 32 I 4.5068 8.3796 120.8896 61.6360 39.5961 173.7844 33 S 4.4421 8.1152 121.1184 57.2630 65.1396 175.8743 34 G 3.6671 8.7492 110.6883 48.4632 0.0000 175.3053 35 K 3.6105 8.2171 111.7455 59.2742 33.1666 177.3933 36 E 4.2013 9.6150 124.7067 56.4090 28.4290 177.8147 37 E 4.8495 10.7054 120.1270 56.0471 30.7759 174.4590 38 G 4.3086 8.2948 117.3998 45.8576 0.0000 174.5757 39 R 3.8636 7.5858 118.8021 56.9979 30.9259 175.0451 40 Q 5.3887 8.5566 124.0050 53.6535 30.5216 174.8420 41 L 5.3698 8.3115 121.6239 52.1069 46.7374 175.5673 42 I 4.7102 8.4029 121.8977 59.8282 38.0159 175.1650 43 R 4.7526 8.7724 126.1032 54.7875 33.0447 174.8511 44 N 5.2605 8.5394 117.9031 51.9596 40.2036 175.2108 45 V 4.3186 8.8300 125.3822 61.7654 34.2918 174.7068 46 K 4.6798 8.5169 121.2786 56.6147 34.9890 175.1253 47 G 3.6219 9.1487 109.7317 43.5783 0.0000 172.5956 48 A 4.0698 8.3198 122.1624 52.2825 18.4665 177.0639 49 C 4.7635 8.4228 117.4932 57.2222 32.4960 173.9256 50 R 4.5608 9.4478 125.1085 54.3089 32.2792 174.9340 51 V 3.8680 8.1137 118.7345 64.0597 31.7543 176.4743 52 G 4.0103 8.4394 116.1450 44.9255 0.0000 173.3127 53 D 4.7022 7.8595 119.2815 54.3191 42.3684 174.6230 54 V 4.8168 8.1714 117.8758 61.6988 34.4747 175.0508 55 L 4.7536 9.9118 129.7406 53.1897 45.4590 175.2282 56 E 4.5379 8.8947 125.7095 55.8710 29.4420 175.9052 57 L 4.3208 8.4820 125.6821 53.7336 43.2306 178.0789 58 M 4.2765 8.5377 124.4594 53.9935 32.3338 176.5075 59 E 5.8785 7.4937 128.1484 56.6759 30.8787 176.4727 60 C 4.2500 8.3192 122.5166 61.4307 28.6753 174.7285 61 E 4.4754 7.2076 120.7683 54.4548 28.2308 176.7594 62 R 4.1696 7.7122 125.7963 57.4185 35.0674 175.5619 63 E 4.8647 9.4037 116.0833 58.0612 28.1063 175.4889 64 A 4.4174 7.7682 119.4386 52.7875 19.2491 177.1289 65 R 4.4412 7.7599 116.3801 56.2159 32.6775 173.6749 66 R 4.4778 8.1650 120.0652 56.5254 33.0707 174.8511 67 L 4.5604 8.1067 118.8311 52.7507 43.3705 175.3651 68 R 4.1311 7.6452 122.8329 56.9519 29.8358 173.9501 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 2 N 8.42 4.59 0.00 2.68 2.83 0.00 0.00 6.91 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 T 7.96 4.15 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 4 E 9.06 4.59 0.00 1.89 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.45 0.00 5 E 8.46 4.52 0.00 1.95 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 2.24 2.38 0.00 6 T 7.50 4.40 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 7 T 8.16 4.41 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 8 K 8.68 4.61 0.00 1.92 1.73 0.00 1.60 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 2.00 1.44 7.81 9 A 8.99 5.17 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.97 4.63 0.00 2.14 2.02 0.00 2.77 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 11 I 8.07 4.19 1.94 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 1.11 0.66 0.95 0.00 0.00 12 M 9.44 4.16 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 13 D 7.68 4.71 0.00 2.58 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 3.80 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 0.78 0.00 0.00 0.93 0.00 0.00 15 L 8.77 4.00 0.00 1.78 1.49 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.32 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 0.00 0.00 0.00 17 K 8.67 5.12 0.00 1.63 1.71 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.71 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.38 7.81 18 T 8.30 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 19 G 8.80 3.73 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 0.00 0.00 0.00 20 S 8.72 4.03 0.00 3.98 4.05 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 21 R 8.12 4.02 0.00 1.94 2.00 0.00 3.40 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.57 0.00 22 G 8.48 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.62 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 0.00 0.00 0.00 24 I 7.62 4.13 2.03 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 1.34 0.56 0.95 0.00 0.00 25 T 8.61 5.00 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 1.24 0.00 0.00 26 Q 8.86 5.03 0.00 2.16 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 27 V 9.07 4.85 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 0.91 0.00 0.00 0.93 0.00 0.00 28 R 8.99 4.82 0.00 1.91 1.93 0.00 3.20 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 29 V 9.59 4.93 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 0.94 0.00 0.00 0.96 0.00 0.00 30 V 8.70 4.72 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 0.88 0.00 0.00 0.93 0.00 0.00 31 L 8.03 4.81 0.00 1.82 1.56 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.38 4.51 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 1.11 0.21 0.91 0.00 0.00 33 S 8.12 4.44 0.00 3.88 3.67 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 34 G 8.75 3.67 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 0.00 0.00 0.00 35 K 8.22 3.61 0.00 1.76 1.63 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.46 7.81 36 E 9.61 4.20 0.00 1.95 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 2.27 2.28 0.00 37 E 10.71 4.85 0.00 2.00 2.12 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 2.22 2.04 0.00 38 G 8.29 4.31 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 0.00 39 R 7.59 3.86 0.00 1.90 1.86 0.00 3.15 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 40 Q 8.56 5.39 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 41 L 8.31 5.37 0.00 1.59 1.50 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.40 4.71 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 1.34 1.42 0.91 0.00 0.00 43 R 8.77 4.75 0.00 1.74 1.83 0.00 3.25 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 44 N 8.54 5.26 0.00 2.58 2.75 0.00 0.00 6.82 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 45 V 8.83 4.32 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 0.97 0.00 0.00 0.93 0.00 0.00 46 K 8.52 4.68 0.00 1.74 1.72 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.45 7.81 47 G 9.15 3.62 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 0.00 0.00 0.00 48 A 8.32 4.07 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.42 4.76 0.00 3.04 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 50 R 9.45 4.56 0.00 1.90 1.92 0.00 3.15 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 51 V 8.11 3.87 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 0.82 0.00 0.00 0.93 0.00 0.00 52 G 8.44 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 53 D 7.86 4.70 0.00 2.61 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 54 V 8.17 4.82 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 0.82 0.00 0.00 0.93 0.00 0.00 55 L 9.91 4.75 0.00 1.76 1.44 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.89 4.54 0.00 1.89 1.92 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 2.31 2.28 0.00 57 L 8.48 4.32 0.00 1.62 1.58 0.92 0.89 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 58 M 8.54 4.28 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 59 E 7.49 5.88 0.00 2.04 1.86 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 2.13 2.07 0.00 60 C 8.32 4.25 0.00 3.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 7.21 4.48 0.00 2.12 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 2.30 2.41 0.00 62 R 7.71 4.17 0.00 1.75 1.68 0.00 3.34 0.00 0.00 3.15 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 63 E 9.40 4.86 0.00 2.05 2.30 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 2.20 2.30 0.00 64 A 7.77 4.42 1.25 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 0.00 0.00 0.00 65 R 7.76 4.44 0.00 1.72 1.75 0.00 3.28 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 66 R 8.16 4.48 0.00 1.73 1.72 0.00 3.38 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.64 0.00 67 L 8.11 4.56 0.00 1.63 1.56 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.65 4.13 0.00 1.72 1.72 0.00 3.27 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00