NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 E 4.3129 8.4444 120.2200 56.3104 30.2691 176.2517 20 I 4.1357 8.9118 129.3436 61.2375 39.7923 171.8935 21 D 3.6375 6.9615 117.9003 53.1781 45.5628 173.6440 22 Y 4.5602 6.8955 116.3165 57.2563 40.9888 174.6566 23 K 4.6359 7.8651 119.3366 56.8210 33.5254 176.4739 24 D 4.8055 7.4802 116.6417 52.7858 41.1283 175.7574 25 I 3.5303 7.9493 124.3978 64.7545 37.6345 178.0087 26 A 3.9069 7.8553 120.2497 55.9007 17.9662 179.3864 27 T 3.8056 7.7868 111.5452 66.6967 68.5695 176.5582 28 L 4.0005 7.3092 118.3059 57.7831 41.8116 179.4789 29 K 4.0046 7.6883 116.2497 58.8090 31.9732 178.6257 30 N 4.5562 7.7032 115.9416 55.8993 38.9779 175.8233 31 Y 4.3070 8.0175 119.5137 59.9690 39.0375 175.1711 32 I 4.7529 7.3604 109.2676 58.6125 40.6699 174.3767 33 T 3.8828 8.4308 116.5665 63.9837 68.3521 173.1573 34 E 5.1160 8.6498 126.4267 53.6257 32.2317 175.5750 35 S 4.4910 8.2593 115.8464 58.5669 67.1428 174.2834 36 G 3.7532 7.5174 109.8263 45.9476 0.0000 173.9286 37 K 4.5927 7.8493 119.3838 55.1295 35.4820 175.0877 38 I 4.9059 7.9009 112.7093 58.6905 40.2091 174.0755 39 V 4.4686 7.6183 112.5449 59.4395 35.5230 172.7590 40 P 4.4905 0.0000 0.0000 62.5931 31.8410 177.8961 41 S 4.3068 8.4416 115.4484 60.4196 63.1766 176.1520 42 R 4.1346 7.8256 120.0922 57.7759 30.0793 177.3098 43 I 4.1834 7.3622 118.7849 63.4932 38.2295 177.2695 44 T 4.0811 7.7086 109.6470 63.2116 68.5151 175.0674 45 G 3.8729 7.9897 107.6763 45.4631 0.0000 173.3427 46 T 3.4845 7.4330 115.5430 62.8065 69.0751 175.0814 47 R 3.8201 8.2147 124.7536 55.8506 31.1215 177.0588 48 A 3.9078 8.5919 126.0554 55.4416 18.1817 179.4213 49 K 3.8000 8.0042 116.7305 60.0409 32.1931 177.9238 50 Y 4.6920 8.0161 117.4940 60.6291 37.7271 178.3173 51 Q 3.9619 8.1573 119.9510 59.5836 28.7208 178.5155 52 R 3.9209 7.6592 118.1123 59.7538 29.8915 178.7684 53 Q 3.9049 7.9283 117.2459 59.2039 28.6981 179.5684 54 L 3.9866 8.4173 119.8490 57.6361 41.6485 179.0125 55 A 3.9669 8.2122 121.0960 55.3458 18.2547 179.2525 56 R 3.8240 7.5018 116.3266 59.7504 30.0872 178.3702 57 A 3.9822 7.7038 119.9529 55.5852 18.3408 179.0786 58 I 3.5743 8.0427 118.1692 65.1843 37.1696 178.3696 59 K 3.8184 8.5429 118.8028 59.5389 31.7641 179.4270 60 R 3.9220 8.1600 117.4547 59.5571 29.8714 178.3708 61 A 4.1185 8.0413 120.0795 55.3700 18.2270 179.9484 62 R 4.2586 7.4630 117.6874 58.8841 29.8167 178.2166 63 Y 4.4708 7.1716 113.6298 58.3039 38.5570 175.9609 64 L 4.6853 6.9827 116.2566 53.7394 43.2589 176.8315 65 S 4.0328 8.0620 113.3323 59.4291 60.4535 173.2834 66 L 4.6717 7.5409 113.0467 55.0033 45.4421 176.0296 67 L 4.5405 7.4086 120.5563 52.4744 45.0584 173.0340 68 P 4.6452 0.0000 0.0000 63.4299 31.7059 175.9736 69 Y 3.9519 8.9169 121.8430 60.4720 38.2443 175.4027 70 T 4.7665 7.5555 107.3976 60.0561 72.3735 173.4483 71 D 4.9433 8.4756 118.5740 54.7363 41.2302 179.0116 72 R 3.9444 7.9894 119.2679 59.4049 30.3948 176.3053 73 H 4.4388 8.0054 118.2033 56.0499 28.7128 175.0125 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 19 E 8.44 4.31 0.00 1.83 1.55 0.00 0.00 0.00 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 2.16 0.00 20 I 8.91 4.14 1.83 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 1.38 0.64 0.81 0.00 0.00 21 D 6.96 3.64 0.00 2.36 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 0.00 0.00 0.00 22 Y 6.90 4.56 0.00 3.06 3.04 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 0.00 0.00 0.00 23 K 7.87 4.64 0.00 1.88 2.01 0.00 1.60 0.00 0.00 1.96 0.00 0.00 2.98 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.28 1.38 7.81 24 D 7.48 4.81 0.00 2.61 2.51 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 0.00 0.00 0.00 25 I 7.95 3.53 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.13 0.91 0.00 0.00 26 A 7.86 3.91 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 27 T 7.79 3.81 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 28 L 7.31 4.00 0.00 1.66 1.73 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.69 4.00 0.00 1.84 1.90 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.79 7.81 30 N 7.70 4.56 0.00 2.78 2.84 0.00 0.00 6.90 7.07 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 31 Y 8.02 4.31 0.00 2.94 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 32 I 7.36 4.75 1.89 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 1.43 0.86 0.90 0.00 0.00 33 T 8.43 3.88 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 34 E 8.65 5.12 0.00 1.88 1.77 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 2.16 2.14 0.00 35 S 8.26 4.49 0.00 4.10 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 36 G 7.52 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 37 K 7.85 4.59 0.00 1.88 1.85 0.00 1.46 0.00 0.00 1.87 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.42 7.81 38 I 7.90 4.91 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 1.41 1.29 0.96 0.00 0.00 39 V 7.62 4.47 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 0.70 0.00 0.00 0.93 0.00 0.00 40 P 0.00 4.49 0.00 2.03 1.96 0.00 3.67 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 2.02 2.06 0.00 41 S 8.44 4.31 0.00 4.09 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 42 R 7.83 4.13 0.00 1.79 2.00 0.00 3.18 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 43 I 7.36 4.18 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 1.69 0.52 0.92 0.00 0.00 44 T 7.71 4.08 4.30 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 0.00 0.00 1.27 0.00 0.00 45 G 7.99 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 0.00 0.00 0.00 46 T 7.43 3.48 4.04 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 0.00 0.00 0.54 0.00 0.00 47 R 8.21 3.82 0.00 0.91 1.40 0.00 2.45 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.43 0.00 48 A 8.59 3.91 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 49 K 8.00 3.80 0.00 1.82 1.87 0.00 1.78 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.71 1.58 7.81 50 Y 8.02 4.69 0.00 3.17 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 51 Q 8.16 3.96 0.00 2.16 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 52 R 7.66 3.92 0.00 2.12 1.99 0.00 3.25 0.00 0.00 3.45 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 53 Q 7.93 3.90 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.62 0.00 54 L 8.42 3.99 0.00 1.98 1.71 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.21 3.97 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 56 R 7.50 3.82 0.00 1.91 2.19 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 57 A 7.70 3.98 1.52 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 0.00 0.00 58 I 8.04 3.57 2.10 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 1.53 1.21 0.88 0.00 0.00 59 K 8.54 3.82 0.00 2.01 1.87 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.66 7.81 60 R 8.16 3.92 0.00 1.87 1.90 0.00 3.09 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 61 A 8.04 4.12 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 62 R 7.46 4.26 0.00 1.30 1.24 0.00 2.85 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.60 0.00 63 Y 7.17 4.47 0.00 2.99 2.81 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 64 L 6.98 4.69 0.00 1.78 1.64 0.85 0.81 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 65 S 8.06 4.03 0.00 4.14 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 66 L 7.54 4.67 0.00 1.74 1.62 0.95 0.98 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 67 L 7.41 4.54 0.00 1.59 1.31 0.90 0.98 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 68 P 0.00 4.65 0.00 2.08 2.34 0.00 3.70 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 2.04 2.23 0.00 69 Y 8.92 3.95 0.00 2.36 2.81 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 70 T 7.56 4.77 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 1.25 0.00 0.00 71 D 8.48 4.94 0.00 2.75 2.74 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 72 R 7.99 3.94 0.00 1.79 1.96 0.00 3.21 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 73 H 8.01 4.44 0.00 3.48 3.40 0.00 5.88 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00