NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 V 3.9474 8.0544 120.3880 62.8674 32.7742 176.1470 23 D 4.3358 8.1404 126.5247 52.1048 39.8257 175.2066 24 A 3.6756 8.0230 126.7491 54.5857 19.0747 178.2431 25 E 2.7778 7.2099 116.4417 59.1126 29.9105 178.7773 26 A 3.8638 7.6302 120.9370 54.8814 18.3593 179.8121 27 V 3.4415 7.5746 116.9655 66.0489 31.5389 178.4548 28 V 3.5457 7.6784 118.0792 66.2076 31.1567 178.0804 29 Q 3.9857 7.9907 116.7199 58.9059 28.5246 178.5358 30 Q 4.1399 7.9797 118.6078 58.0393 28.9488 177.6629 31 K 4.5325 8.1217 116.0382 56.1827 34.1860 177.0904 32 C 4.8204 8.3138 115.9569 59.7582 30.1832 175.7936 33 I 4.1037 7.7474 114.1734 63.1954 37.2072 178.0165 34 S 4.1214 8.1346 115.4466 61.1106 62.8898 175.1545 35 C 4.5391 7.8929 120.0978 60.1849 29.0772 174.5742 36 H 4.7701 8.3078 115.5509 54.4789 29.0642 175.9069 37 G 4.2930 7.9129 107.7155 45.5073 0.0000 175.1794 38 G 3.5834 8.5894 109.7822 47.7391 0.0000 174.1937 39 D 4.7138 8.0373 116.5499 52.6026 39.7795 176.7254 40 L 3.8823 8.1777 118.6147 56.0866 39.6580 175.3738 41 T 4.4025 7.9954 107.6081 61.4385 68.9631 175.4395 42 G 4.1952 9.0705 109.4424 46.0466 0.0000 172.5185 43 A 4.7897 8.5369 125.1823 51.8029 21.1106 178.4257 44 S 4.1261 9.5236 118.8600 61.5616 63.5778 174.2638 45 A 4.6169 7.9132 123.2141 49.0869 21.0754 173.9901 46 P 4.7226 0.0000 0.0000 61.9329 32.0373 176.7349 47 A 4.4138 8.3876 122.9418 52.7213 18.9729 177.5658 48 I 4.5659 8.6248 112.9624 60.2387 38.4741 177.1873 49 D 4.4723 8.2236 121.0256 55.6825 39.5439 176.8084 50 K 4.6482 7.7674 119.1921 55.8146 33.4215 177.8921 51 A 4.1240 8.0872 125.4740 55.3087 18.3807 181.1528 52 G 3.9104 8.1941 103.0160 46.7015 0.0000 174.7343 53 A 4.1387 7.9998 122.4067 54.0357 18.5571 177.8330 54 N 4.7517 8.0715 111.2237 53.2747 40.9543 174.4888 55 Y 4.8731 7.5109 114.8279 55.0969 42.0494 175.0262 56 S 4.5397 9.2178 118.7654 57.7150 65.3401 175.1046 57 E 3.9217 8.6892 122.4830 59.6107 29.2243 178.5474 58 E 3.9426 8.1590 118.7111 59.2937 29.8092 178.3890 59 E 4.0114 8.4041 118.6818 59.5053 29.4715 179.4593 60 I 3.6067 8.0249 119.9010 64.1226 37.0790 178.1229 61 L 3.9167 8.2046 121.5238 58.2863 41.8451 178.4976 62 D 4.3152 8.3264 118.0167 57.4066 41.0405 178.2491 63 I 3.6573 7.7966 120.2092 64.4310 36.8755 178.4933 64 I 3.6866 7.6675 119.4059 64.3945 37.2779 178.2844 65 L 4.1569 8.3283 120.1095 57.1854 41.3414 178.4005 66 N 4.9169 8.2680 112.9464 51.4832 40.1971 175.7152 67 G 3.8841 8.9820 109.1915 45.0851 0.0000 172.6132 68 Q 4.3661 8.9381 114.3939 56.4019 33.5945 173.3457 69 G 3.8234 8.7261 114.8495 46.8537 0.0000 176.3606 70 G 3.6721 8.8447 113.7979 46.9091 0.0000 172.6135 71 M 4.2723 8.2054 122.0245 53.8115 32.9482 174.0248 72 P 4.6750 0.0000 0.0000 62.3762 32.3514 176.0332 73 G 3.7991 8.3052 108.8906 45.7236 0.0000 174.3020 74 G 3.9787 8.5383 107.2058 45.2849 0.0000 175.0454 75 I 3.8085 7.6278 119.9026 63.4820 37.4033 175.8271 76 A 4.8040 7.5846 120.0483 50.3461 22.4281 174.6618 77 K 4.6887 7.9112 117.2830 55.1105 37.3765 177.9925 78 G 3.6226 8.5424 108.6967 46.5068 0.0000 176.4316 79 A 3.9692 8.5619 121.5621 54.9331 18.2134 179.3612 80 E 3.8370 8.1317 116.5436 59.5778 29.5862 179.0549 81 A 4.0051 7.9159 120.6803 55.3993 18.3847 179.5801 82 E 3.9106 8.4971 116.9299 59.4362 29.5343 179.4864 83 A 4.0146 8.2535 121.0424 55.0688 18.3486 179.8825 84 V 3.6072 8.0249 116.6338 66.0598 31.5794 178.1099 85 A 4.0094 8.4201 120.6579 55.1746 18.0103 179.4706 86 A 3.9768 8.0573 118.3090 54.9691 18.3980 179.4180 87 W 4.2337 8.4220 126.8837 60.7505 30.8673 178.3651 88 L 3.8089 8.5958 119.0512 57.5313 40.9004 179.2812 89 A 4.0839 8.3158 120.7020 54.5129 18.0646 178.4893 90 E 4.4307 7.5510 114.5641 55.7064 30.1083 176.3679 91 K 4.2315 7.5306 120.7192 54.8980 32.6144 177.0167 92 K 4.1491 8.2582 122.6974 56.5518 33.0220 176.3274 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 22 V 8.05 3.95 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 0.89 0.00 0.00 0.96 0.00 0.00 23 D 8.14 4.34 0.00 2.76 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.02 3.68 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.21 2.78 0.00 1.49 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 2.25 2.18 0.00 26 A 7.63 3.86 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.57 3.44 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 1.02 0.00 0.00 0.92 0.00 0.00 28 V 7.68 3.55 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 1.24 0.00 0.00 0.94 0.00 0.00 29 Q 7.99 3.99 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.80 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 30 Q 7.98 4.14 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 31 K 8.12 4.53 0.00 1.77 1.80 0.00 1.62 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.50 7.81 32 C 8.31 4.82 0.00 3.04 2.99 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 33 I 7.75 4.10 1.89 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 1.87 0.81 1.11 0.00 0.00 34 S 8.13 4.12 0.00 4.03 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 0.00 35 C 7.89 4.54 0.00 2.82 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 36 H 8.31 4.77 0.00 3.35 3.31 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.91 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 0.00 0.00 0.00 0.00 38 G 8.59 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.04 4.71 0.00 2.81 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.18 3.88 0.00 1.95 1.88 1.12 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.00 4.40 4.26 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 1.37 0.00 0.00 42 G 9.07 4.20 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 0.00 43 A 8.54 4.79 1.02 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 44 S 9.52 4.13 0.00 4.00 4.13 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 45 A 7.91 4.62 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.72 0.00 2.11 2.05 0.00 3.74 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 2.07 2.11 0.00 47 A 8.39 4.41 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 48 I 8.62 4.57 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.72 0.66 0.00 0.00 49 D 8.22 4.47 0.00 2.78 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.77 4.65 0.00 1.79 1.76 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.37 7.81 51 A 8.09 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 52 G 8.19 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 53 A 8.00 4.14 1.30 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 0.00 0.00 0.00 54 N 8.07 4.75 0.00 2.65 2.47 0.00 0.00 6.77 7.08 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 55 Y 7.51 4.87 0.00 3.14 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 56 S 9.22 4.54 0.00 4.05 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 57 E 8.69 3.92 0.00 2.08 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 2.41 2.57 0.00 58 E 8.16 3.94 0.00 2.14 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 2.39 2.48 0.00 59 E 8.40 4.01 0.00 2.40 2.20 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 2.42 2.43 0.00 60 I 8.02 3.61 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.78 0.89 0.00 0.00 61 L 8.20 3.92 0.00 1.75 1.84 0.93 1.36 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 62 D 8.33 4.32 0.00 2.94 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 63 I 7.80 3.66 1.90 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.60 0.82 0.00 0.00 64 I 7.67 3.69 1.98 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 1.51 0.59 0.91 0.00 0.00 65 L 8.33 4.16 0.00 1.67 1.71 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 66 N 8.27 4.92 0.00 2.82 2.82 0.00 0.00 7.13 8.39 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 67 G 8.98 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 0.00 0.00 0.00 68 Q 8.94 4.37 0.00 2.04 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 5.78 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 69 G 8.73 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.84 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 71 M 8.21 4.27 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.47 0.00 72 P 0.00 4.68 0.00 2.21 2.03 0.00 3.80 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 1.98 1.95 0.00 73 G 8.31 3.80 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 0.00 0.00 0.00 74 G 8.54 3.98 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 0.00 0.00 0.00 75 I 7.63 3.81 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 0.57 0.91 0.00 0.00 76 A 7.58 4.80 1.17 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 0.00 0.00 0.00 77 K 7.91 4.69 0.00 1.75 1.63 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.41 7.81 78 G 8.54 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 79 A 8.56 3.97 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.13 3.84 0.00 2.20 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 2.36 2.35 0.00 81 A 7.92 4.01 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 0.00 0.00 0.00 0.00 0.00 82 E 8.50 3.91 0.00 2.15 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 2.34 2.46 0.00 83 A 8.25 4.01 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 84 V 8.02 3.61 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 1.25 0.00 0.00 0.92 0.00 0.00 85 A 8.42 4.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.06 3.98 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 W 8.42 4.23 0.00 3.49 3.39 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 88 L 8.60 3.81 0.00 1.77 1.70 0.98 1.03 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 89 A 8.32 4.08 1.42 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 0.00 0.00 0.00 90 E 7.55 4.43 0.00 1.95 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 2.46 2.47 0.00 91 K 7.53 4.23 0.00 1.74 1.73 0.00 0.61 0.00 0.00 0.94 0.00 0.00 2.59 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.94 0.98 7.81 92 K 8.26 4.15 0.00 1.64 1.60 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.21 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.35 7.81