NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 5.0754 8.1200 121.1855 56.7140 34.2274 177.2170 3 L 3.7380 7.7799 120.3250 57.1285 42.3104 176.9494 4 S 4.1435 8.9591 113.9219 61.6571 63.2677 175.0135 5 E 4.0001 8.2341 119.1943 59.4311 29.7894 179.2788 6 V 3.4438 7.8113 117.6852 66.1163 31.8514 178.1838 7 R 3.9301 7.7601 114.5116 59.6169 28.8229 178.8464 8 K 4.1832 8.4142 120.3207 58.9722 32.1009 179.0535 9 Q 3.9093 8.1801 117.7823 59.2123 28.3426 179.1817 10 L 4.0098 7.9507 119.5394 57.8253 41.4174 178.9800 11 E 3.9825 8.2027 118.3106 59.8489 29.3007 179.5928 12 E 4.0048 8.7491 117.3828 59.3454 29.8139 179.1286 13 A 4.1019 8.6108 121.0315 55.4135 18.3212 179.5831 14 R 3.8564 9.0447 115.4764 58.8725 30.3809 178.2524 15 K 4.6325 7.8627 116.7506 57.0270 34.5076 176.5942 16 L 4.6684 8.3828 117.9400 56.3599 42.6661 177.9934 17 S 3.3881 7.9725 114.1859 58.9063 63.3230 167.8347 18 P 4.5491 0.0000 0.0000 64.4645 32.9848 177.1241 19 V 3.8674 7.7681 119.2246 64.5276 31.5333 177.6651 20 E 3.8829 7.6402 118.5597 59.8338 29.3026 178.7531 21 L 3.9575 8.2439 118.5678 57.7276 41.5569 179.3461 22 E 3.8944 7.9765 117.7342 59.4989 29.6320 179.8539 23 K 3.9322 7.8415 117.9578 59.4960 32.1123 178.9626 24 L 4.6542 7.6483 121.5885 57.6209 41.8113 179.2353 25 V 3.5340 8.5413 118.2577 66.1537 31.5176 177.9072 26 R 3.8825 7.9777 117.7902 59.9853 29.9949 178.2880 27 E 3.9513 8.1516 117.4944 58.8501 29.4387 179.1752 28 K 3.8521 8.5040 118.5060 59.8640 32.3819 179.0262 29 K 3.8496 8.7979 119.3558 59.7746 32.0017 179.1684 30 R 3.8904 8.0858 118.6662 59.5714 29.9055 178.3231 31 E 3.9707 8.3864 118.5937 59.1447 29.3649 179.0851 32 L 3.9566 7.8568 120.3949 58.4579 42.2521 178.5344 33 M 4.1011 8.0835 118.0540 58.7177 32.0148 177.6530 34 E 3.7956 8.7227 119.6075 59.4074 29.8002 178.3326 35 L 4.0397 8.6476 120.6470 58.1981 42.1609 179.0909 36 R 3.8911 8.7229 118.1907 60.0799 30.0549 178.0343 37 F 3.8641 8.7330 117.0730 60.8571 38.5998 177.3373 38 Q 4.0179 8.2269 118.4375 59.3836 28.8776 179.4798 39 A 4.1615 8.2684 121.4987 55.2596 18.8431 179.5892 40 S 4.3108 8.6881 113.0358 60.7562 62.9694 175.9082 41 I 3.9210 7.6820 114.7617 62.7835 37.6927 177.4654 42 G 3.8302 8.3390 106.8104 45.0647 0.0000 173.4857 43 Q 3.9433 8.3614 123.6482 57.1757 29.7905 177.1175 44 L 4.2142 9.7188 118.3306 54.4083 38.2505 174.9583 45 S 4.5812 7.2552 107.7543 58.0521 65.8009 176.0205 46 Q 4.2797 8.0135 122.3733 56.5726 28.4611 179.1697 47 N 3.4688 7.1212 114.0779 53.5422 41.5037 176.0047 48 H 4.3374 8.0884 118.5698 59.2173 28.5052 177.4476 49 K 3.9889 8.1636 122.6153 59.1019 31.7057 178.5356 50 I 3.9300 8.3946 120.7597 63.3258 37.3162 178.2318 51 R 3.8552 7.9979 117.0158 59.7529 28.8600 178.0453 52 D 4.2880 7.8639 120.1207 57.0528 40.9079 177.9008 53 L 3.9204 7.5372 120.0281 58.3325 41.9317 179.1888 54 K 3.8561 8.2339 118.2505 59.8578 31.9953 179.4341 55 R 3.9276 7.9206 117.7199 59.2700 29.9462 178.7630 56 Q 3.9788 8.6745 118.1684 59.4661 28.7836 179.0656 57 I 3.6422 7.8523 119.8562 65.4469 37.1648 177.7382 58 A 3.7892 7.8523 119.4746 55.9540 17.9918 179.4363 59 R 3.7320 8.4253 116.6418 59.5772 30.7990 179.0103 60 L 4.0718 8.5415 118.7800 57.5455 41.5389 179.1600 61 L 3.9387 8.7389 118.7530 58.7029 41.9223 179.8943 62 T 3.8543 8.6843 116.2600 66.8415 68.4712 176.4492 63 V 3.6922 7.6580 119.5863 66.0868 31.6251 177.6175 64 L 3.9649 8.1091 120.3261 58.3474 41.4326 178.9861 65 N 4.3289 7.8972 115.3565 56.1383 38.8989 176.7847 66 E 4.1009 7.8397 116.1179 58.3703 29.8613 178.2770 67 K 4.2348 7.7047 119.5174 58.7634 32.6101 178.6740 68 R 4.0265 8.2796 118.8111 58.7897 30.2386 176.9282 69 R 4.4508 7.8346 116.8188 54.4675 30.3141 177.5681 70 Q 5.8116 7.4609 129.4558 57.3330 27.7786 173.1568 71 N 4.6775 7.4199 115.4165 53.8808 40.2624 174.5747 72 A 4.0968 7.7344 124.8893 52.9298 19.1243 175.7616 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 2 K 8.12 5.08 0.00 1.87 1.88 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.47 7.81 3 L 7.78 3.74 0.00 1.80 1.63 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.96 4.14 0.00 3.86 3.93 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 5 E 8.23 4.00 0.00 2.31 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 2.40 2.31 0.00 6 V 7.81 3.44 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 1.05 0.00 0.00 1.00 0.00 0.00 7 R 7.76 3.93 0.00 2.13 2.21 0.00 2.87 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 8 K 8.41 4.18 0.00 1.91 1.89 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.50 7.81 9 Q 8.18 3.91 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 10 L 7.95 4.01 0.00 1.92 1.71 0.92 0.98 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 11 E 8.20 3.98 0.00 2.24 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 2.34 2.66 0.00 12 E 8.75 4.00 0.00 2.01 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 2.35 2.46 0.00 13 A 8.61 4.10 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 14 R 9.04 3.86 0.00 2.01 2.05 0.00 3.35 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.78 0.00 15 K 7.86 4.63 0.00 1.91 1.89 0.00 1.55 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.62 1.51 7.81 16 L 8.38 4.67 0.00 1.75 1.68 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.97 3.39 0.00 4.07 3.93 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 18 P 0.00 4.55 0.00 2.22 2.23 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 19 V 7.77 3.87 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 1.34 0.00 0.00 0.93 0.00 0.00 20 E 7.64 3.88 0.00 1.91 2.19 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 2.37 2.44 0.00 21 L 8.24 3.96 0.00 1.82 1.67 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.98 3.89 0.00 2.11 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 2.41 2.62 0.00 23 K 7.84 3.93 0.00 1.94 1.85 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.59 7.81 24 L 7.65 4.65 0.00 1.79 1.88 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.54 3.53 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.97 0.00 0.00 26 R 7.98 3.88 0.00 2.05 2.00 0.00 3.18 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.98 0.00 27 E 8.15 3.95 0.00 2.24 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 2.32 2.63 0.00 28 K 8.50 3.85 0.00 1.90 1.90 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.61 1.67 7.81 29 K 8.80 3.85 0.00 1.88 1.88 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.62 7.81 30 R 8.09 3.89 0.00 1.85 2.12 0.00 3.07 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 31 E 8.39 3.97 0.00 2.26 1.98 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 2.32 2.31 0.00 32 L 7.86 3.96 0.00 1.78 1.73 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 33 M 8.08 4.10 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.65 0.00 34 E 8.72 3.80 0.00 2.19 2.09 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 2.27 2.34 0.00 35 L 8.65 4.04 0.00 1.94 1.70 0.91 1.23 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 36 R 8.72 3.89 0.00 2.24 2.03 0.00 3.19 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 37 F 8.73 3.86 0.00 3.25 3.08 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 0.00 0.00 0.00 0.00 38 Q 8.23 4.02 0.00 2.25 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.47 2.60 0.00 39 A 8.27 4.16 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 40 S 8.69 4.31 0.00 3.94 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 41 I 7.68 3.92 1.89 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 1.64 0.71 1.04 0.00 0.00 42 G 8.34 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.36 3.94 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.10 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 44 L 9.72 4.21 0.00 1.74 2.14 0.94 0.90 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 45 S 7.26 4.58 0.00 3.93 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 46 Q 8.01 4.28 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.17 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 47 N 7.12 3.47 0.00 2.86 3.05 0.00 0.00 6.71 8.16 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 48 H 8.09 4.34 0.00 3.36 3.57 0.00 5.48 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.16 3.99 0.00 1.94 1.89 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.50 7.81 50 I 8.39 3.93 1.95 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 1.58 0.64 0.92 0.00 0.00 51 R 8.00 3.86 0.00 2.03 2.25 0.00 2.99 0.00 0.00 3.35 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.81 0.00 52 D 7.86 4.29 0.00 2.75 2.71 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 53 L 7.54 3.92 0.00 1.90 1.68 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.23 3.86 0.00 1.98 1.86 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.65 7.81 55 R 7.92 3.93 0.00 2.09 1.98 0.00 3.16 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 56 Q 8.67 3.98 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 57 I 7.85 3.64 1.94 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 1.84 0.94 0.91 0.00 0.00 58 A 7.85 3.79 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 59 R 8.43 3.73 0.00 1.92 2.03 0.00 3.18 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 60 L 8.54 4.07 0.00 1.83 1.68 0.92 0.71 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 61 L 8.74 3.94 0.00 1.75 1.73 0.92 0.74 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 62 T 8.68 3.85 4.43 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 1.21 0.00 0.00 63 V 7.66 3.69 2.31 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 0.99 0.00 0.00 1.05 0.00 0.00 64 L 8.11 3.96 0.00 1.78 1.68 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 65 N 7.90 4.33 0.00 2.96 2.86 0.00 0.00 6.91 7.66 0.00 0.00 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 E 7.84 4.10 0.00 2.16 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 0.00 2.47 2.32 0.00 67 K 7.70 4.23 0.00 2.01 1.85 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.59 1.61 7.81 68 R 8.28 4.03 0.00 1.74 2.03 0.00 3.32 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.85 0.00 69 R 7.83 4.45 0.00 1.84 1.94 0.00 3.31 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 70 Q 7.46 5.81 0.00 2.27 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.60 6.90 0.00 0.00 0.00 0.00 0.00 2.22 2.10 0.00 71 N 7.42 4.68 0.00 2.72 2.89 0.00 0.00 6.80 7.35 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 72 A 7.73 4.10 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00