NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3051 8.4449 118.7953 55.9468 31.9850 176.6802 4 R 3.9600 7.8129 118.8655 54.5146 32.0556 174.6494 5 P 4.1937 0.0000 0.0000 66.1407 31.7282 178.4837 6 L 3.8711 7.8566 118.1184 58.0480 41.9221 178.5973 7 D 4.3092 7.8522 118.5214 57.3069 40.6560 178.6342 8 V 3.5383 7.5885 117.4468 66.0025 31.7832 177.8768 9 I 3.6716 7.5930 119.5026 64.4606 36.8974 177.7661 10 H 3.9978 8.1577 119.3972 59.4376 29.5343 177.2981 11 R 4.1306 8.0301 117.5115 58.0684 30.1842 177.9611 12 S 4.5516 7.6861 114.6060 57.1671 63.1427 173.7756 13 L 4.3114 7.1605 123.1649 56.4411 41.7180 177.0020 14 D 4.5896 9.9326 122.4534 54.6238 39.1138 173.5024 15 K 4.7471 7.7974 118.5417 54.2072 35.9794 174.9272 16 D 5.0785 8.4705 121.0593 54.6656 42.7317 175.3370 17 V 4.8174 8.9193 116.8704 59.8936 37.0937 173.3436 18 L 5.0738 9.1005 124.9483 53.3782 44.5949 175.1787 19 V 4.7768 9.2318 126.9604 61.3703 33.6376 174.1859 20 I 4.4408 8.7309 130.5759 60.3765 38.3552 175.5661 21 L 4.8274 8.0063 127.5075 52.4008 43.3361 176.8735 22 K 4.2807 7.9789 120.3586 55.8831 31.3558 178.5524 23 K 4.4417 7.6240 113.6605 58.1297 34.5015 176.4926 24 G 4.1045 8.6412 110.2248 44.7413 0.0000 173.9113 25 F 5.1253 7.5157 113.8867 55.3015 41.2859 174.1279 26 E 5.0011 8.8283 116.0148 55.0905 33.6441 173.9443 27 F 5.5079 9.3519 117.9806 55.7429 43.0381 174.4749 28 R 5.0585 9.3047 121.9249 54.2560 33.6808 174.6848 29 G 4.1077 8.0368 111.0553 46.3942 0.0000 171.0185 30 R 4.8134 7.9906 120.7587 55.0572 31.0827 175.4510 31 L 4.7339 9.1275 130.4627 55.2252 42.7145 176.8097 32 I 4.4402 8.3996 118.5720 60.2725 39.1692 175.0913 33 G 4.1584 7.7063 108.7649 46.4946 0.0000 171.5319 34 Y 5.3392 7.6435 117.1824 56.6825 40.6608 172.1413 35 D 4.8275 8.5186 118.7291 51.1084 42.6146 176.2574 36 I 3.7946 8.2174 118.1252 63.7685 37.8684 175.8578 37 H 4.5572 8.1678 114.9790 55.8956 28.9324 175.3615 38 L 3.8467 8.0810 118.4894 55.3868 39.5747 174.1438 39 N 4.8589 8.3864 116.6243 53.5167 39.7720 174.7363 40 V 5.0353 8.8786 115.0177 59.6123 36.8583 174.5444 41 V 4.8106 8.7100 121.5159 61.2584 34.2669 174.2196 42 L 5.3019 8.9098 127.5719 52.9579 44.8531 175.1967 43 A 4.9546 8.9318 124.3274 50.7496 21.5618 176.2932 44 D 4.7021 8.8806 120.5308 55.3283 39.0552 173.2671 45 A 5.1350 8.4020 121.8685 50.9446 22.0578 177.5700 46 E 5.2689 9.3831 117.1429 54.8674 33.3305 174.2358 47 M 4.7002 9.5007 123.8227 54.7445 34.0432 174.5243 48 I 4.9637 8.8080 127.6050 59.7138 39.9581 174.4756 49 Q 4.7765 9.1514 126.7832 54.5056 31.5465 175.8139 50 D 4.4730 10.0734 124.1197 55.2819 38.6102 174.8219 51 G 3.9765 8.6670 105.5235 45.2247 0.0000 173.6908 52 E 4.5627 8.1039 120.2333 53.8521 31.7593 175.4836 53 V 4.0898 8.4050 123.4311 63.4175 31.5316 175.4243 54 V 4.1061 8.8676 128.8465 64.0762 32.4689 175.5272 55 K 4.3924 7.4606 117.0751 55.8254 36.3532 174.2675 56 R 5.1286 8.0807 119.7746 54.7981 33.9637 174.6741 57 Y 4.7007 9.2486 119.1692 56.2824 41.9274 176.6687 58 G 3.7056 9.0521 111.0734 49.1026 0.0000 173.3244 59 K 5.2215 7.8248 119.5762 54.9987 35.3910 175.1579 60 I 4.5132 8.7766 126.2894 59.4256 41.9902 173.4220 61 V 4.5731 8.2333 128.2290 61.3604 33.0060 174.5137 62 I 4.3532 8.6112 129.4973 59.3839 39.7662 175.4905 63 R 4.5410 8.5400 126.4375 55.5275 30.8974 177.8410 64 G 3.7511 9.3401 112.8461 48.5785 0.0000 175.0576 65 D 4.3558 8.1432 118.1670 56.6008 41.5300 176.2526 66 N 4.7532 8.0869 114.6210 52.7864 39.0454 174.2643 67 V 4.2664 7.4381 119.4601 62.0671 32.5804 175.2071 68 L 4.3743 8.9646 129.8364 57.1924 42.6965 176.0285 69 A 4.6556 7.4649 117.6058 51.1818 22.8804 174.8001 70 I 5.0166 8.1522 118.9901 59.7292 41.0470 174.9604 71 S 4.7333 9.2415 122.3976 55.5679 65.0598 171.0153 72 P 4.7609 0.0000 0.0000 62.3841 31.7896 176.4070 73 T 4.1212 8.1131 121.0730 63.8077 67.9990 174.3206 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 3 E 8.44 4.31 0.00 2.08 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 2.17 2.33 0.00 4 R 7.81 3.96 0.00 1.94 1.87 0.00 3.15 0.00 0.00 3.33 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.84 0.00 5 P 0.00 4.19 0.00 2.12 2.09 0.00 3.58 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 2.10 2.15 0.00 6 L 7.86 3.87 0.00 1.74 1.65 1.06 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.85 4.31 0.00 2.92 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.59 3.54 2.16 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 0.79 0.00 0.00 0.96 0.00 0.00 9 I 7.59 3.67 1.53 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.49 0.24 0.00 0.00 10 H 8.16 4.00 0.00 3.31 3.46 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.03 4.13 0.00 1.80 1.97 0.00 3.21 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.99 0.00 12 S 7.69 4.55 0.00 3.97 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 13 L 7.16 4.31 0.00 1.68 1.63 0.95 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 14 D 9.93 4.59 0.00 2.67 2.82 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 15 K 7.80 4.75 0.00 1.78 1.67 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.48 7.81 16 D 8.47 5.08 0.00 2.82 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.92 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 0.81 0.00 0.00 1.01 0.00 0.00 18 L 9.10 5.07 0.00 1.71 1.50 1.03 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.23 4.78 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 1.04 0.00 0.00 0.96 0.00 0.00 20 I 8.73 4.44 1.83 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 1.21 0.38 0.85 0.00 0.00 21 L 8.01 4.83 0.00 0.94 0.94 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.98 4.28 0.00 1.74 1.84 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.61 1.39 7.81 23 K 7.62 4.44 0.00 1.67 2.07 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.38 1.50 7.81 24 G 8.64 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 0.00 0.00 0.00 25 F 7.52 5.13 0.00 3.07 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 26 E 8.83 5.00 0.00 2.14 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 2.29 0.00 27 F 9.35 5.51 0.00 3.02 2.91 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 28 R 9.30 5.06 0.00 1.92 1.79 0.00 3.44 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 29 G 8.04 4.11 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 0.00 0.00 0.00 30 R 7.99 4.81 0.00 1.94 1.83 0.00 3.11 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 31 L 9.13 4.73 0.00 1.79 1.73 1.08 0.65 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 32 I 8.40 4.44 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 1.32 0.86 0.98 0.00 0.00 33 G 7.71 4.16 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 0.00 34 Y 7.64 5.34 0.00 3.02 2.91 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 35 D 8.52 4.83 0.00 2.82 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 36 I 8.22 3.79 1.83 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.67 0.68 0.00 0.00 37 H 8.17 4.56 0.00 3.32 3.31 0.00 5.83 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.08 3.85 0.00 1.85 1.84 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.39 4.86 0.00 2.96 2.74 0.00 0.00 6.79 7.24 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 40 V 8.88 5.04 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 0.75 0.00 0.00 0.90 0.00 0.00 41 V 8.71 4.81 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 1.00 0.00 0.00 0.91 0.00 0.00 42 L 8.91 5.30 0.00 1.55 1.53 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.93 4.95 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.88 4.70 0.00 2.76 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 5.13 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.38 5.27 0.00 2.04 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 0.00 2.26 2.39 0.00 47 M 9.50 4.70 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.34 0.00 48 I 8.81 4.96 1.97 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.66 0.92 0.00 0.00 49 Q 9.15 4.78 0.00 1.89 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.23 0.00 0.00 0.00 0.00 0.00 2.23 2.21 0.00 50 D 10.07 4.47 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.67 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 52 E 8.10 4.56 0.00 2.08 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 2.19 0.00 53 V 8.40 4.09 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 0.76 0.00 0.00 0.95 0.00 0.00 54 V 8.87 4.11 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 0.76 0.00 0.00 0.97 0.00 0.00 55 K 7.46 4.39 0.00 1.63 1.10 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.81 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.22 1.33 7.81 56 R 8.08 5.13 0.00 1.53 1.74 0.00 3.12 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 57 Y 9.25 4.70 0.00 2.87 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 58 G 9.05 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.82 5.22 0.00 1.75 1.65 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.57 7.81 60 I 8.78 4.51 1.51 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.10 0.56 0.00 0.00 61 V 8.23 4.57 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 0.82 0.00 0.00 0.88 0.00 0.00 62 I 8.61 4.35 1.75 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.22 0.86 0.00 0.00 63 R 8.54 4.54 0.00 1.87 1.85 0.00 3.13 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.60 0.00 64 G 9.34 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 65 D 8.14 4.36 0.00 2.62 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.09 4.75 0.00 2.84 2.81 0.00 0.00 6.44 7.03 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 67 V 7.44 4.27 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 0.75 0.00 0.00 0.93 0.00 0.00 68 L 8.96 4.37 0.00 1.57 1.82 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.46 4.66 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 70 I 8.15 5.02 1.84 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 1.23 0.69 0.89 0.00 0.00 71 S 9.24 4.73 0.00 3.81 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 72 P 0.00 4.76 0.00 2.10 2.05 0.00 3.82 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 73 T 8.11 4.12 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