NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 R 4.2839 8.1133 120.8569 55.8988 29.7483 175.7361 32 S 3.9419 8.3739 122.5700 60.6644 62.1520 174.4810 33 D 4.9354 8.4103 121.1020 54.2965 41.4225 177.1571 34 A 4.2348 7.7769 123.3298 53.3007 19.4930 179.2636 35 E 4.1121 7.5682 115.5338 58.8364 30.0289 176.7975 36 P 4.2053 0.0000 0.0000 64.1562 31.7833 177.2053 37 H 4.1284 7.4268 115.6674 55.9418 29.5827 174.1007 38 Y 4.6497 6.4304 114.1954 58.5182 40.0778 177.3941 39 L 4.0001 7.1142 121.7875 57.6911 41.9701 177.1218 40 P 4.3544 0.0000 0.0000 65.0337 31.3803 177.8305 41 Q 4.0220 7.8142 119.5993 58.7962 29.0004 177.5811 42 L 4.3133 8.4060 121.8668 56.8536 41.6939 179.3983 43 R 3.9185 7.8009 116.3005 59.2698 29.4117 179.1185 44 K 4.0317 7.9338 119.3650 59.4400 32.3471 178.9816 45 D 4.3036 7.8367 119.9487 57.3629 40.8421 178.4568 46 I 3.7750 7.9922 119.1183 63.8857 37.8839 177.9954 47 L 3.9580 7.6451 119.7294 57.9296 41.5203 179.2990 48 E 4.0352 8.1412 118.4300 59.1348 29.3659 179.4733 49 V 3.6619 8.4270 119.0406 66.3460 31.6070 178.2216 50 I 3.7792 8.3237 119.5425 64.2167 36.5981 178.1242 51 C 4.2321 7.6703 118.7015 62.4327 31.5651 175.2747 52 K 4.0512 8.5119 119.2509 59.1252 31.7020 177.9130 53 Y 4.4711 8.0573 114.0741 59.0406 39.2737 176.1827 54 V 4.0282 8.0374 123.0093 61.4945 33.9432 176.0820 55 Q 4.4019 8.3299 115.6196 55.2910 30.9344 172.6883 56 I 4.6947 8.1199 115.5218 59.3274 41.1316 174.0722 57 D 4.8934 8.2106 120.2573 52.0321 42.8379 176.1970 58 P 4.3386 0.0000 0.0000 65.7628 31.6346 178.2317 59 E 4.1845 8.0846 116.5929 58.2435 29.8199 177.3271 60 M 4.1797 7.8224 118.3297 56.2896 32.6702 175.6147 61 V 4.6813 7.2815 118.7647 61.8417 32.5719 175.9214 62 T 4.5246 8.8844 125.2294 62.8915 70.5722 174.0092 63 V 4.9218 8.0637 122.4556 61.3737 34.9376 174.6710 64 Q 4.6389 9.7802 126.3266 54.9017 31.8422 173.4268 65 L 5.0510 8.5784 124.2711 54.5085 42.8980 175.1455 66 E 4.8907 9.0150 119.7682 55.4053 34.5027 173.9402 67 Q 4.9797 8.4561 117.2849 55.0263 32.9549 174.3504 68 K 4.5705 8.4057 120.1023 53.7514 35.3677 176.5066 69 D 4.6761 8.1952 121.3738 52.5027 39.7207 176.6661 70 G 4.0200 7.8000 100.8098 45.1635 0.0000 171.5750 71 D 4.4258 8.5283 115.7496 55.5155 38.4249 173.5887 72 I 4.7906 7.4423 117.0014 59.7048 41.8238 175.3990 73 S 5.0676 8.5447 118.8020 57.3188 66.9764 174.9165 74 I 4.4313 8.7524 121.7640 60.4212 39.6706 172.8865 75 L 4.5553 8.3261 127.1782 54.3148 42.2077 174.9732 76 E 4.8801 9.4518 127.2033 54.5825 32.1135 175.4250 77 L 5.0714 8.1753 122.3253 54.2907 43.5038 175.3987 78 N 4.6970 9.0798 121.2858 52.4914 40.4937 174.5072 79 V 4.4925 8.2067 122.3472 61.2498 32.5097 173.9418 80 T 4.2320 8.7076 122.2350 62.5570 68.2205 173.9683 81 L 4.3566 8.2970 126.9251 52.9782 42.8886 175.7930 82 P 4.6268 0.0000 0.0000 61.4107 33.3038 174.8350 83 E 4.1664 8.4711 117.0145 57.9172 29.8281 175.9981 84 A 4.3525 7.6851 117.9582 52.6127 21.3489 174.5507 85 E 4.8293 8.0127 127.6956 56.9427 33.5076 178.0070 86 E 3.7105 8.4696 118.4352 58.2670 29.9123 176.2118 87 L 4.4323 7.2078 120.3869 53.7945 43.0799 176.3677 88 K 4.2067 8.4868 123.7873 56.6252 32.6291 175.9026 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 31 R 8.11 4.28 0.00 1.84 1.90 0.00 3.11 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 32 S 8.37 3.94 0.00 3.98 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.41 4.94 0.00 2.71 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.78 4.23 1.33 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 0.00 0.00 35 E 7.57 4.11 0.00 1.78 2.02 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 2.32 2.47 0.00 36 P 0.00 4.21 0.00 0.49 1.67 0.00 3.68 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 37 H 7.43 4.13 0.00 3.50 3.54 0.00 5.69 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 6.43 4.65 0.00 3.27 3.20 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 39 L 7.11 4.00 0.00 1.31 1.59 0.94 1.14 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 40 P 0.00 4.35 0.00 2.23 2.22 0.00 3.52 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.12 0.00 41 Q 7.81 4.02 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.99 0.00 0.00 0.00 0.00 0.00 2.47 2.71 0.00 42 L 8.41 4.31 0.00 1.97 1.72 1.12 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.80 3.92 0.00 1.98 2.18 0.00 2.76 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 44 K 7.93 4.03 0.00 1.99 2.17 0.00 1.48 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.60 1.48 7.81 45 D 7.84 4.30 0.00 2.83 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 46 I 7.99 3.78 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.87 0.92 0.00 0.00 47 L 7.65 3.96 0.00 1.95 1.70 0.95 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.14 4.04 0.00 2.13 2.02 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 2.61 2.47 0.00 49 V 8.43 3.66 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.96 0.00 0.00 50 I 8.32 3.78 2.00 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 1.37 0.63 0.92 0.00 0.00 51 C 7.67 4.23 0.00 3.18 3.11 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 52 K 8.51 4.05 0.00 2.08 1.78 0.00 1.83 0.00 0.00 1.93 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.78 7.81 53 Y 8.06 4.47 0.00 2.86 3.06 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 0.00 0.00 0.00 0.00 54 V 8.04 4.03 2.21 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 0.71 0.00 0.00 1.03 0.00 0.00 55 Q 8.33 4.40 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.59 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 56 I 8.12 4.69 1.88 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 1.43 0.65 0.92 0.00 0.00 57 D 8.21 4.89 0.00 2.80 2.62 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 58 P 0.00 4.34 0.00 2.21 2.30 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 59 E 8.08 4.18 0.00 1.98 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 2.31 2.33 0.00 60 M 7.82 4.18 0.00 2.28 2.32 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.61 0.00 61 V 7.28 4.68 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 0.77 0.00 0.00 0.98 0.00 0.00 62 T 8.88 4.52 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 1.23 0.00 0.00 63 V 8.06 4.92 2.07 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 0.77 0.00 0.00 0.92 0.00 0.00 64 Q 9.78 4.64 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 65 L 8.58 5.05 0.00 1.65 1.68 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 66 E 9.02 4.89 0.00 1.94 1.85 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 2.25 2.45 0.00 67 Q 8.46 4.98 0.00 1.88 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 68 K 8.41 4.57 0.00 1.62 1.70 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.66 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.34 7.81 69 D 8.20 4.68 0.00 2.64 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 70 G 7.80 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 0.00 0.00 0.00 0.00 71 D 8.53 4.43 0.00 2.82 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 72 I 7.44 4.79 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 1.34 0.84 0.92 0.00 0.00 73 S 8.54 5.07 0.00 3.72 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 74 I 8.75 4.43 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 1.12 0.61 0.91 0.00 0.00 75 L 8.33 4.56 0.00 1.64 1.62 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 76 E 9.45 4.88 0.00 1.90 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 2.24 2.39 0.00 77 L 8.18 5.07 0.00 1.64 1.58 0.91 0.75 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 78 N 9.08 4.70 0.00 2.68 2.76 0.00 0.00 6.01 8.25 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 79 V 8.21 4.49 2.07 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 0.77 0.00 0.00 0.92 0.00 0.00 80 T 8.71 4.23 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 1.21 0.00 0.00 81 L 8.30 4.36 0.00 1.63 1.59 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.63 0.00 2.18 2.09 0.00 3.78 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 1.97 1.98 0.00 83 E 8.47 4.17 0.00 1.98 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 0.00 2.32 2.31 0.00 84 A 7.69 4.35 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 85 E 8.01 4.83 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 2.14 2.14 0.00 86 E 8.47 3.71 0.00 1.97 1.97 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 2.29 2.31 0.00 87 L 7.21 4.43 0.00 1.68 1.55 0.92 0.55 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 88 K 8.49 4.21 0.00 1.74 1.64 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.38 7.81