NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 47 A 4.0969 8.2601 123.5829 52.7968 20.4207 175.4944 48 A 3.3595 8.4267 118.5913 52.9843 14.6963 173.2726 49 E 4.7316 8.4214 122.3007 54.2095 33.9214 176.1103 50 E 4.1902 8.3399 121.0973 54.9660 27.8515 174.9118 51 K 4.3327 7.9077 120.0629 54.9049 32.5829 175.2016 52 T 4.9134 8.2781 115.8876 61.2211 69.4285 174.2046 53 E 4.6383 7.9207 121.7158 55.0810 30.9987 174.2080 54 F 4.8231 9.3020 122.6660 55.5211 42.3134 174.1115 55 D 5.3602 9.0976 122.3593 52.5681 43.7596 175.3622 56 V 4.5640 8.6098 123.3109 61.5004 33.4036 174.3499 57 I 4.8077 8.7785 129.4667 59.5737 40.2759 174.6326 58 L 4.5765 9.0096 128.0592 54.0808 42.9240 176.5671 59 K 4.2502 8.7743 126.2646 58.1277 32.6231 177.0377 60 A 4.6815 7.6169 119.4681 50.0499 20.9718 176.4181 61 A 4.0201 8.9281 125.6625 53.1539 19.3722 178.5472 62 G 3.9755 8.1676 102.3948 46.1739 0.0000 173.1003 63 A 4.5478 8.3305 119.4864 51.9703 20.1352 178.0119 64 N 4.9609 7.4537 115.0345 52.5897 39.9541 175.4249 65 K 4.0030 7.9886 121.5059 59.5923 32.6687 177.2735 66 V 3.5439 7.7883 118.3056 65.7626 31.5736 177.3486 67 A 3.9725 7.9457 119.7212 55.4983 18.2636 179.1571 68 V 3.4782 7.7268 116.2910 66.4229 31.4801 177.9655 69 I 3.7286 8.3463 119.5816 64.5498 37.0040 178.6543 70 K 3.9235 8.2015 118.7882 59.4402 31.7517 179.0809 71 A 3.9976 8.1871 119.8881 55.9243 18.5848 179.0809 72 V 3.4845 8.5322 116.8423 65.9556 31.4655 177.7016 73 R 4.1274 8.8072 118.7410 59.7981 29.8436 179.2354 74 G 3.6098 8.3722 104.8217 47.2188 0.0000 175.0510 75 A 4.3606 8.2992 122.2420 53.9630 18.9648 176.4750 76 T 4.2865 7.7970 104.1038 59.6396 71.8327 173.9836 77 G 4.1527 8.1517 111.6708 44.5145 0.0000 173.9172 78 L 4.1895 7.4990 118.7825 53.6084 42.4385 178.0210 79 G 3.8170 8.5819 107.5027 44.8598 0.0000 174.0970 80 L 3.8814 8.5782 125.0751 58.4870 42.0482 179.1312 81 K 3.8875 8.1773 118.6396 59.2128 32.0811 177.9600 82 E 3.8864 8.1966 117.7154 59.6591 29.5525 179.5638 83 A 3.9582 8.4956 120.6742 54.9482 18.4448 179.3741 84 K 3.8091 8.1478 118.3083 59.8735 32.0602 178.4140 85 D 4.3421 8.3505 117.8191 57.4650 41.0150 178.1201 86 L 4.1034 8.1647 122.2407 57.8004 42.0147 179.2289 87 V 3.5755 7.9987 117.6142 66.1306 31.2999 177.7183 88 E 4.2279 8.5078 117.2464 57.8923 29.5639 178.1750 89 S 4.6957 7.9129 114.2291 57.0457 63.7544 173.7010 90 A 4.2758 7.0658 124.8890 52.6038 18.6293 176.5793 91 P 4.8803 0.0000 0.0000 62.8175 32.7176 175.1621 92 A 4.8172 8.7941 120.9844 50.2166 23.3050 175.0522 93 A 4.6057 8.4876 121.2610 51.2204 19.0584 177.4877 94 L 4.2507 8.8690 123.5185 57.6966 42.4244 178.0194 95 K 4.7834 7.8257 116.0234 54.8582 37.0065 175.3237 96 E 4.7922 8.3856 121.4889 55.6503 33.1699 176.3547 97 G 3.9462 9.1735 113.8230 47.0143 0.0000 172.1752 98 V 4.5543 8.1750 112.5966 58.6256 35.6365 176.2251 99 S 4.5747 8.3736 116.2137 58.4958 64.5266 175.1929 100 K 3.3761 8.6312 125.0574 59.6930 31.9283 178.7610 101 D 4.3009 7.9378 118.5444 57.5791 40.7794 178.4825 102 D 4.3331 7.7791 117.7119 57.0733 40.7682 178.6208 103 A 3.9659 8.1345 121.6220 55.4164 18.3962 179.6612 104 E 3.8767 8.5905 117.1645 58.9978 29.3073 179.4905 105 A 3.9196 7.8714 121.0902 55.0218 18.4445 179.4717 106 L 3.8439 7.8699 118.7230 58.1370 42.2776 178.5987 107 K 3.7899 8.0625 119.7706 59.8626 31.9834 178.4494 108 K 3.9284 8.4290 118.4678 59.4694 32.0075 179.1913 109 A 4.2411 7.5785 122.2789 54.7028 18.4679 179.7175 110 L 3.9723 8.2769 117.9328 57.9287 41.6667 179.6676 111 E 3.9787 8.7561 118.8984 59.4978 29.1041 179.1068 112 E 3.9520 8.6528 118.8075 59.3967 29.2709 179.1048 113 A 4.2220 7.6614 119.1086 52.6104 20.0954 177.5694 114 G 3.8425 8.6874 105.8033 46.1547 0.0000 172.4388 115 A 4.9708 7.6627 117.7092 49.8985 23.3424 176.8590 116 E 4.3156 9.2148 122.1911 55.3962 30.7209 175.5964 117 V 4.8942 8.4143 126.2206 61.0499 34.9556 173.9383 118 E 4.7044 9.1268 124.8191 54.2600 32.8687 174.4509 119 V 4.9125 8.6094 126.4915 60.9951 33.6757 175.1923 120 K 4.3192 8.7454 127.0518 57.0688 32.7744 176.1325 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 47 A 8.26 4.10 1.29 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 48 A 8.43 3.36 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 49 E 8.42 4.73 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 2.21 2.29 0.00 50 E 8.34 4.19 0.00 1.95 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 2.24 0.00 51 K 7.91 4.33 0.00 1.62 1.74 0.00 1.54 0.00 0.00 1.59 0.00 0.00 2.13 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.60 1.02 7.81 52 T 8.28 4.91 4.32 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 1.27 0.00 0.00 53 E 7.92 4.64 0.00 1.72 1.84 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 2.20 2.29 0.00 54 F 9.30 4.82 0.00 3.12 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 55 D 9.10 5.36 0.00 2.58 2.68 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 56 V 8.61 4.56 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 1.01 0.00 0.00 0.96 0.00 0.00 57 I 8.78 4.81 1.89 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 1.12 0.64 0.98 0.00 0.00 58 L 9.01 4.58 0.00 1.64 1.54 0.95 0.67 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 59 K 8.77 4.25 0.00 1.85 1.82 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.54 7.81 60 A 7.62 4.68 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.93 4.02 1.31 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 62 G 8.17 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 63 A 8.33 4.55 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 64 N 7.45 4.96 0.00 2.99 2.66 0.00 0.00 6.92 5.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 7.99 4.00 0.00 1.86 1.79 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.50 7.81 66 V 7.79 3.54 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 1.08 0.00 0.00 0.93 0.00 0.00 67 A 7.95 3.97 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 68 V 7.73 3.48 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 1.02 0.00 0.00 1.01 0.00 0.00 69 I 8.35 3.73 2.07 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 1.52 0.54 0.91 0.00 0.00 70 K 8.20 3.92 0.00 2.06 1.85 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.59 7.81 71 A 8.19 4.00 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 72 V 8.53 3.48 2.25 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 1.02 0.00 0.00 0.95 0.00 0.00 73 R 8.81 4.13 0.00 1.90 1.94 0.00 3.14 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 74 G 8.37 3.61 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 0.00 0.00 0.00 75 A 8.30 4.36 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.80 4.29 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 1.25 0.00 0.00 77 G 8.15 4.15 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 0.00 0.00 0.00 78 L 7.50 4.19 0.00 1.68 1.61 0.92 0.82 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 79 G 8.58 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 80 L 8.58 3.88 0.00 1.76 1.72 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.18 3.89 0.00 1.86 1.74 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.60 7.81 82 E 8.20 3.89 0.00 2.26 2.03 0.00 0.00 0.00 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 2.42 0.00 83 A 8.50 3.96 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 84 K 8.15 3.81 0.00 1.90 1.96 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.60 1.49 7.81 85 D 8.35 4.34 0.00 2.77 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 86 L 8.16 4.10 0.00 1.77 1.93 0.92 0.60 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 87 V 8.00 3.58 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 0.93 0.00 0.00 0.98 0.00 0.00 88 E 8.51 4.23 0.00 2.15 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 2.34 2.45 0.00 89 S 7.91 4.70 0.00 4.01 4.10 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 0.00 0.00 0.00 0.00 90 A 7.07 4.28 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.88 0.00 2.09 2.06 0.00 3.71 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 1.99 1.97 0.00 92 A 8.79 4.82 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.49 4.61 1.24 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 0.00 0.00 0.00 94 L 8.87 4.25 0.00 1.77 1.74 0.93 0.92 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 95 K 7.83 4.78 0.00 1.67 1.65 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.48 7.81 96 E 8.39 4.79 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 2.21 2.28 0.00 97 G 9.17 3.95 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 0.00 0.00 0.00 98 V 8.18 4.55 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 0.83 0.00 0.00 1.02 0.00 0.00 99 S 8.37 4.57 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 0.00 100 K 8.63 3.38 0.00 1.13 1.56 0.00 1.49 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.83 0.21 7.81 101 D 7.94 4.30 0.00 2.69 2.67 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 0.00 102 D 7.78 4.33 0.00 2.99 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 0.00 103 A 8.13 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 0.00 104 E 8.59 3.88 0.00 1.98 1.94 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 2.23 2.24 0.00 105 A 7.87 3.92 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.87 3.84 0.00 1.78 1.66 0.92 0.61 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 0.00 107 K 8.06 3.79 0.00 1.91 1.95 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.51 7.81 108 K 8.43 3.93 0.00 2.05 1.84 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.53 7.81 109 A 7.58 4.24 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 0.00 110 L 8.28 3.97 0.00 1.88 1.73 0.93 0.82 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 0.00 111 E 8.76 3.98 0.00 2.15 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 2.33 2.51 0.00 112 E 8.65 3.95 0.00 2.19 2.01 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 2.33 2.46 0.00 113 A 7.66 4.22 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.69 3.84 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 0.00 0.00 0.00 115 A 7.66 4.97 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 0.00 116 E 9.21 4.32 0.00 2.02 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 2.27 2.25 0.00 117 V 8.41 4.89 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 0.86 0.00 0.00 0.99 0.00 0.00 118 E 9.13 4.70 0.00 2.03 1.73 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 2.20 2.23 0.00 119 V 8.61 4.91 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.95 0.00 0.00 120 K 8.75 4.32 0.00 1.85 1.84 0.00 1.40 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.37 7.81