NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.6594 0.0000 0.0000 62.4319 33.3335 174.4263 2 K 4.6140 9.2083 119.3287 54.4411 36.2227 174.1784 3 S 4.7958 8.4748 115.9140 57.3503 66.8335 173.0134 4 R 5.2560 9.1763 121.3034 54.2813 33.1282 173.8236 5 L 5.1668 8.9834 122.4321 53.3774 45.2469 174.6597 6 F 4.3083 9.2390 129.0427 56.4333 41.5232 174.1501 7 I 4.3548 7.2250 125.2930 59.3679 39.1353 176.4247 8 G 3.4059 7.9791 113.8449 45.5535 0.0000 173.5665 9 N 4.7239 8.1958 116.4358 52.7924 37.5748 175.6931 10 L 4.0268 7.5418 122.7577 58.1073 42.1211 176.6747 11 P 4.7586 0.0000 0.0000 63.0076 31.7411 176.8946 12 L 4.4644 7.4278 120.7345 54.3484 40.3118 177.6337 13 K 4.4793 7.5088 112.4548 56.2103 33.2139 173.5085 14 N 4.1842 8.5235 121.9950 53.8192 38.3633 174.0471 15 V 4.5527 7.8298 118.0386 60.6938 34.5144 173.5437 16 S 4.8003 8.9995 116.4915 55.7074 67.0368 175.3108 17 K 3.9705 8.7395 120.6234 60.1174 31.6119 179.3169 18 E 4.0801 8.1884 117.8086 58.8764 29.4889 178.9921 19 D 4.3818 8.1441 119.5867 57.4938 40.9149 178.6855 20 L 4.0636 7.9286 118.8689 57.2703 41.4553 179.1264 21 F 4.2028 8.7426 122.1965 60.7317 39.4581 176.9880 22 R 4.2834 8.1566 114.4917 60.2197 29.2610 177.9527 23 I 3.8562 7.8947 119.3976 61.0358 37.0172 175.3102 24 F 5.6229 8.2103 119.5237 56.4747 42.0560 174.4598 25 S 4.6156 8.6676 119.6270 59.2370 70.0800 173.8618 26 P 4.3453 0.0000 0.0000 62.8856 31.2547 175.4618 27 Y 4.6790 6.9695 114.2588 58.1626 42.2107 177.8009 28 G 3.9755 8.4370 110.5643 45.3559 0.0000 172.6299 29 H 4.4439 8.2494 117.9722 55.0951 30.3130 175.9118 30 I 2.5975 7.5132 121.5026 61.4886 37.4509 171.3133 31 M 5.0620 7.8413 120.0602 55.3941 38.4798 174.4903 32 Q 4.7761 9.6369 118.2917 55.2977 33.6717 172.3903 33 I 4.5601 8.4634 123.8439 59.1814 39.7330 175.1960 34 N 5.1009 8.6759 126.7294 51.9102 38.1750 173.0967 35 I 4.1591 7.7841 120.4697 60.5629 39.2771 174.9528 36 K 4.6805 8.2919 125.6545 54.3121 35.1324 176.8269 37 N 4.2387 8.6995 118.4839 54.5687 37.6614 175.8263 38 A 4.3900 7.1736 122.1074 53.3897 19.6950 177.2795 39 F 4.8412 6.7679 108.3490 55.2904 41.0319 174.5045 40 G 4.1062 8.6633 111.8928 45.8561 0.0000 171.8364 41 F 5.3344 9.2168 117.6496 55.5752 42.9796 174.7781 42 I 4.6486 8.5997 121.1905 59.5604 40.9128 174.8946 43 Q 4.8114 8.8548 125.2354 54.7904 31.7387 173.7929 44 F 5.7770 9.1905 124.8288 55.7497 43.8019 173.9722 45 D 4.8639 8.4113 120.2434 53.8101 43.0256 172.8867 46 N 4.1256 9.0568 125.8334 52.9363 36.4439 172.4484 47 P 4.3637 0.0000 0.0000 65.5907 31.3534 178.4327 48 Q 3.9829 8.1879 117.6777 58.6792 28.5343 178.5245 49 S 4.0634 8.4660 115.5423 61.3413 63.1266 176.7536 50 V 3.2699 7.6025 121.6855 65.6622 31.1381 178.0619 51 R 3.9050 8.2575 118.7948 59.3081 29.9788 177.9811 52 D 4.2166 8.3647 118.0689 57.0327 41.1033 178.0774 53 A 3.1375 7.6239 121.6926 54.2857 17.9074 179.6500 54 I 3.8707 7.4611 118.6758 64.6616 37.0926 178.3563 55 E 4.1253 7.6461 116.1966 58.6298 29.5595 178.3638 56 C 4.2130 7.5482 119.3981 62.2522 31.9488 174.3501 57 E 4.3576 8.6078 120.7166 58.5359 29.4293 177.5197 58 S 4.4826 7.8291 110.0640 58.3595 62.1397 173.5141 59 Q 4.0855 7.5442 120.1402 56.1397 29.2050 175.4423 60 E 4.5908 8.4753 124.0245 54.6182 32.4854 174.6129 61 M 4.5044 8.4691 125.1627 53.9628 34.4727 175.0854 62 N 4.6848 8.3212 119.5268 53.9473 38.0851 174.6453 63 F 4.7828 7.7055 110.8315 57.2495 40.7879 177.0836 64 G 3.7311 8.3113 110.6535 44.4685 0.0000 174.1803 65 K 4.1735 8.4173 118.7084 56.4184 30.7672 176.5312 66 K 4.4563 8.4110 123.2875 56.5484 33.8308 177.2049 67 L 4.6614 7.5077 116.5903 53.0124 45.7338 175.6412 68 I 4.4603 8.0435 121.7871 59.7420 40.6859 174.0323 69 L 5.0615 8.3670 126.2718 52.7247 45.4163 175.9997 70 E 4.7595 8.8910 123.2294 54.5274 33.2836 174.1993 71 V 4.5766 8.5618 126.5070 60.9971 33.3296 175.8350 72 S 4.6444 9.1724 121.3950 56.4219 64.2444 174.7659 73 S 4.5948 8.4292 123.6533 58.5430 62.6135 175.2693 74 S 4.1814 8.0781 117.4979 59.1893 61.9083 174.0736 75 N 4.8950 8.7479 126.4652 52.9779 38.8972 174.6094 76 A 4.8056 7.8089 117.7889 49.9689 22.5339 177.0223 77 R 4.2255 8.4262 116.1737 56.3472 29.7150 175.2884 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 1 P 0.00 4.66 0.00 2.05 2.14 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.03 0.00 2 K 9.21 4.61 0.00 1.84 1.69 0.00 1.50 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.54 7.81 3 S 8.47 4.80 0.00 3.91 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 R 9.18 5.26 0.00 2.15 2.04 0.00 2.80 0.00 0.00 3.11 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 5 L 8.98 5.17 0.00 1.67 1.39 0.49 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 6 F 9.24 4.31 0.00 2.76 2.84 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 7 I 7.22 4.35 1.76 0.00 0.00 0.56 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 0.87 0.74 0.00 0.00 8 G 7.98 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.20 4.72 0.00 2.80 2.71 0.00 0.00 5.81 7.72 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 10 L 7.54 4.03 0.00 1.76 1.63 0.89 0.87 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 11 P 0.00 4.76 0.00 2.24 2.11 0.00 3.86 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.95 0.00 12 L 7.43 4.46 0.00 1.78 1.69 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.51 4.48 0.00 1.85 1.80 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.21 1.46 7.81 14 N 8.52 4.18 0.00 2.87 2.85 0.00 0.00 6.92 7.68 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 15 V 7.83 4.55 2.27 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 0.71 0.00 0.00 0.99 0.00 0.00 16 S 9.00 4.80 0.00 3.97 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 17 K 8.74 3.97 0.00 1.83 1.97 0.00 1.70 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.58 7.81 18 E 8.19 4.08 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 2.36 2.28 0.00 19 D 8.14 4.38 0.00 2.92 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 20 L 7.93 4.06 0.00 1.78 1.72 0.91 0.96 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 21 F 8.74 4.20 0.00 3.25 3.28 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 22 R 8.16 4.28 0.00 2.13 2.34 0.00 3.26 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.03 0.00 23 I 7.89 3.86 1.92 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.64 0.30 0.00 0.00 24 F 8.21 5.62 0.00 3.11 3.25 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 0.00 25 S 8.67 4.62 0.00 3.17 3.04 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 26 P 0.00 4.35 0.00 1.76 1.87 0.00 3.46 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.69 0.00 27 Y 6.97 4.68 0.00 2.82 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.44 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 29 H 8.25 4.44 0.00 3.12 3.32 0.00 5.92 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.51 2.60 1.53 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 -0.25 0.74 0.00 0.00 31 M 7.84 5.06 0.00 2.01 2.22 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 32 Q 9.64 4.78 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 33 I 8.46 4.56 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.96 1.05 0.00 0.00 34 N 8.68 5.10 0.00 2.83 2.70 0.00 0.00 6.60 7.48 0.00 0.00 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 I 7.78 4.16 1.92 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 1.45 1.40 0.96 0.00 0.00 36 K 8.29 4.68 0.00 1.76 1.50 0.00 1.72 0.00 0.00 2.02 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.59 1.30 7.81 37 N 8.70 4.24 0.00 2.79 2.92 0.00 0.00 5.98 7.23 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 38 A 7.17 4.39 1.11 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 39 F 6.77 4.84 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.66 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 41 F 9.22 5.33 0.00 3.12 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 42 I 8.60 4.65 1.53 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.71 -0.38 0.00 0.00 43 Q 8.85 4.81 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 44 F 9.19 5.78 0.00 2.97 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 45 D 8.41 4.86 0.00 2.82 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.06 4.13 0.00 2.96 2.85 0.00 0.00 6.84 7.71 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 47 P 0.00 4.36 0.00 2.33 2.34 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 48 Q 8.19 3.98 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 49 S 8.47 4.06 0.00 4.13 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 50 V 7.60 3.27 2.27 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 1.27 0.00 0.00 1.19 0.00 0.00 51 R 8.26 3.91 0.00 1.95 2.01 0.00 3.19 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 52 D 8.36 4.22 0.00 2.83 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 53 A 7.62 3.14 -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 54 I 7.46 3.87 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.37 0.93 0.00 0.00 55 E 7.65 4.13 0.00 2.08 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 2.44 2.35 0.00 56 C 7.55 4.21 0.00 3.12 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 8.61 4.36 0.00 2.33 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 0.00 2.43 2.42 0.00 58 S 7.83 4.48 0.00 3.91 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 7.54 4.09 0.00 2.31 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.38 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 60 E 8.48 4.59 0.00 1.91 1.76 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 2.19 2.28 0.00 61 M 8.47 4.50 0.00 2.28 2.06 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.75 0.00 62 N 8.32 4.68 0.00 2.60 2.51 0.00 0.00 6.63 6.91 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 63 F 7.71 4.78 0.00 3.01 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 64 G 8.31 3.73 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 0.00 0.00 0.00 65 K 8.42 4.17 0.00 1.74 1.78 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.77 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.37 7.81 66 K 8.41 4.46 0.00 1.73 1.84 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.25 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.62 7.81 67 L 7.51 4.66 0.00 1.54 1.45 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.04 4.46 1.67 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.81 0.65 0.00 0.00 69 L 8.37 5.06 0.00 1.41 1.33 0.67 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.89 4.76 0.00 1.99 1.76 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 2.34 2.38 0.00 71 V 8.56 4.58 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 0.76 0.00 0.00 1.06 0.00 0.00 72 S 9.17 4.64 0.00 3.84 3.90 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 0.00 0.00 0.00 0.00 73 S 8.43 4.59 0.00 3.89 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 74 S 8.08 4.18 0.00 3.88 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 75 N 8.75 4.90 0.00 2.68 2.81 0.00 0.00 7.06 7.98 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 76 A 7.81 4.81 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 77 R 8.43 4.23 0.00 1.89 1.87 0.00 3.09 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00