NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 L 4.2952 8.0433 122.4906 55.0373 44.2499 178.4230 12 E 3.9905 7.9755 117.2208 57.6344 29.3142 175.7206 13 E 3.9840 8.8954 120.4375 59.5422 30.1478 178.2014 14 M 4.0132 8.0422 118.1880 58.8555 32.1839 178.7273 15 Q 4.1803 7.7733 116.9997 58.9254 28.7607 179.3228 16 R 4.1312 7.4903 118.4664 58.6413 30.2176 178.7561 17 R 3.8005 8.1767 118.5525 59.5556 29.6384 178.4954 18 A 3.9296 8.6210 120.7144 54.9927 16.8830 178.6276 19 D 4.4447 7.6997 114.4941 56.1302 41.3121 178.2261 20 Q 4.0856 7.8598 120.3456 58.9601 29.1169 177.2735 21 L 4.1369 8.3645 115.4783 55.9416 41.6058 177.9193 22 A 4.4613 7.3735 119.2783 53.8481 19.8777 179.4674 23 D 4.2388 7.3970 117.1311 57.5608 40.1104 178.6246 24 E 4.1380 8.5630 119.9744 58.9398 29.3216 178.5106 25 S 4.5050 7.7917 112.4144 60.5335 62.9021 175.5919 26 L 3.9868 8.0186 123.1730 58.0451 41.7914 178.7129 27 E 3.9912 8.8464 119.0645 59.3517 29.2685 178.7867 28 S 4.0687 7.5166 113.8055 61.7239 62.3481 176.0537 29 T 3.8779 7.7585 112.1876 65.1662 68.3058 176.0469 30 R 3.9023 7.8990 120.5602 59.1139 30.0289 179.1471 31 R 3.8853 8.1093 117.4971 59.6133 30.0834 178.5660 32 M 3.9725 8.2956 118.7724 58.6911 31.8900 178.3101 33 L 3.9574 8.2393 120.5001 58.2040 41.9446 178.2972 34 Q 4.5787 7.6425 113.9063 56.2623 29.2395 176.0319 35 L 4.4491 7.3691 123.8248 57.2818 43.3803 178.5912 36 V 3.6624 8.3883 118.3999 65.8245 31.4056 177.9537 37 E 4.0067 8.0283 118.5876 59.3600 29.3485 179.0413 38 E 4.0250 8.1460 118.1574 59.4136 29.4527 179.4825 39 S 4.1327 7.9113 114.9712 61.4121 62.9967 176.5128 40 K 3.9080 8.0411 122.3509 59.6429 31.8072 178.5208 41 D 4.4103 8.2574 118.9036 56.9498 40.7815 178.6026 42 A 4.0945 8.2373 121.5536 54.7676 18.3202 179.9841 43 G 3.5384 8.3364 104.8213 47.8594 0.0000 176.2008 44 I 3.6890 7.6839 122.0388 64.0456 37.0634 178.1243 45 R 3.8631 8.1676 119.7833 60.1985 29.8494 178.0282 46 T 3.8438 8.2339 115.3157 67.1088 68.5163 176.1226 47 L 4.0275 8.6282 120.5679 58.2424 41.7836 180.1151 48 V 3.6263 8.2422 118.3325 66.0031 31.4219 178.1655 49 M 4.0254 8.2943 118.8656 58.2515 31.8789 178.3808 50 L 3.9296 8.2642 119.5739 58.0315 41.6452 178.9484 51 D 4.3205 7.9030 116.1430 57.5160 41.4002 177.8835 52 E 4.0612 8.1096 119.3574 59.4529 29.6491 178.5549 53 Q 4.1161 8.5818 118.6994 59.1172 28.7813 179.2863 54 G 3.6347 8.6855 106.8780 47.9119 0.0000 175.4996 55 E 4.2694 8.2239 120.4307 58.9149 29.3738 179.3379 56 Q 4.0435 7.8687 118.1578 58.7216 28.8731 178.2842 57 L 3.9793 8.0999 120.2895 57.9123 41.6573 179.1237 58 D 4.5163 8.2487 118.8072 57.4332 40.5900 179.3591 59 R 3.8811 7.7591 118.1693 59.2457 30.2038 178.9512 60 V 3.5645 7.9806 118.2858 66.0493 31.3092 177.7233 61 E 3.8748 8.6757 119.2352 59.3369 29.5921 178.2580 62 E 4.0066 8.2374 119.5473 59.3947 29.5164 179.0797 63 G 3.7324 8.4732 106.0070 47.9543 0.0000 175.6115 64 M 4.0776 7.9403 120.9158 58.2885 31.9423 178.5450 65 N 4.3384 8.3693 116.8608 56.6320 38.7092 176.9355 66 H 4.2411 8.7176 119.9532 59.4015 29.8580 177.4159 67 I 3.7452 8.1081 121.9102 64.0295 36.6153 177.9208 68 N 4.2609 7.9497 117.2798 56.7724 39.2748 176.6605 69 Q 4.1318 8.1560 119.2538 59.2969 28.8962 178.6073 70 D 4.3702 8.4197 120.1425 57.7325 40.8184 178.9253 71 M 4.0737 8.3933 119.4573 57.8416 31.8304 178.6271 72 K 4.0177 7.8164 119.7136 59.7103 32.3554 178.6774 73 E 3.9501 8.1577 118.0201 59.1738 29.3591 178.9867 74 A 3.9635 8.0450 120.7873 55.2483 18.4583 179.3948 75 E 3.9119 8.6593 117.5652 59.6013 29.5986 179.9484 76 K 4.0316 8.0904 118.4980 59.8299 32.3132 178.9854 77 N 4.4515 8.3139 118.0966 56.0040 38.3210 177.3480 78 L 4.0113 8.2468 121.0165 57.5631 41.5971 179.5384 79 K 3.9182 8.1202 118.4782 59.7893 31.8784 179.1084 80 D 4.4458 8.2881 117.6786 57.1064 40.6827 178.6807 81 L 4.3247 7.3561 118.7632 57.3104 41.9889 178.7695 82 G 3.7930 8.5257 102.6344 46.5407 0.0000 173.7275 83 K 5.0603 7.5651 125.5278 55.5493 31.0349 175.4447 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 11 L 8.04 4.30 0.00 1.74 1.73 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 12 E 7.98 3.99 0.00 2.13 1.97 0.00 0.00 0.00 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 2.46 0.00 13 E 8.90 3.98 0.00 2.01 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 2.40 2.39 0.00 14 M 8.04 4.01 0.00 2.05 2.27 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.65 0.00 15 Q 7.77 4.18 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 16 R 7.49 4.13 0.00 2.12 1.96 0.00 3.29 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.78 0.00 17 R 8.18 3.80 0.00 2.00 2.09 0.00 3.15 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 18 A 8.62 3.93 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 19 D 7.70 4.44 0.00 2.96 2.80 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 20 Q 7.86 4.09 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 21 L 8.36 4.14 0.00 1.61 1.69 0.92 1.03 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 A 7.37 4.46 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 23 D 7.40 4.24 0.00 3.02 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 24 E 8.56 4.14 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 25 S 7.79 4.50 0.00 4.05 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.02 3.99 0.00 1.78 1.75 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.85 3.99 0.00 2.10 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 2.33 2.46 0.00 28 S 7.52 4.07 0.00 4.06 4.12 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 29 T 7.76 3.88 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 1.26 0.00 0.00 30 R 7.90 3.90 0.00 2.15 2.03 0.00 3.35 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 31 R 8.11 3.89 0.00 2.01 1.98 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 32 M 8.30 3.97 0.00 2.02 2.31 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.58 0.00 33 L 8.24 3.96 0.00 1.86 1.85 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.64 4.58 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.52 0.00 0.00 0.00 0.00 0.00 2.31 2.70 0.00 35 L 7.37 4.45 0.00 1.96 1.86 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.39 3.66 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 0.98 0.00 0.00 1.00 0.00 0.00 37 E 8.03 4.01 0.00 2.05 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 2.33 2.49 0.00 38 E 8.15 4.02 0.00 2.17 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 2.40 2.59 0.00 39 S 7.91 4.13 0.00 4.08 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 40 K 8.04 3.91 0.00 1.98 1.96 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 41 D 8.26 4.41 0.00 2.75 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 42 A 8.24 4.09 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 43 G 8.34 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.68 3.69 2.01 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 1.41 0.82 0.91 0.00 0.00 45 R 8.17 3.86 0.00 2.03 2.15 0.00 3.16 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 46 T 8.23 3.84 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 47 L 8.63 4.03 0.00 1.76 1.74 0.92 0.82 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 48 V 8.24 3.63 2.28 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 1.03 0.00 0.00 0.95 0.00 0.00 49 M 8.29 4.03 0.00 2.08 2.20 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 2.83 2.58 0.00 50 L 8.26 3.93 0.00 1.86 1.73 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.90 4.32 0.00 2.72 2.93 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 52 E 8.11 4.06 0.00 2.15 2.04 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 2.30 2.39 0.00 53 Q 8.58 4.12 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 54 G 8.69 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.22 4.27 0.00 2.22 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 2.32 2.56 0.00 56 Q 7.87 4.04 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.64 0.00 57 L 8.10 3.98 0.00 1.87 1.71 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.25 4.52 0.00 2.87 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 59 R 7.76 3.88 0.00 2.03 1.97 0.00 3.14 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 60 V 7.98 3.56 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 0.99 0.00 0.00 0.95 0.00 0.00 61 E 8.68 3.87 0.00 2.03 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 2.31 2.32 0.00 62 E 8.24 4.01 0.00 2.27 2.06 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 2.31 2.34 0.00 63 G 8.47 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 64 M 7.94 4.08 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.95 0.00 65 N 8.37 4.34 0.00 2.92 2.88 0.00 0.00 6.67 9.01 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 66 H 8.72 4.24 0.00 3.18 3.44 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.11 3.75 2.02 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 1.39 0.72 0.90 0.00 0.00 68 N 7.95 4.26 0.00 2.83 3.07 0.00 0.00 7.26 6.69 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 69 Q 8.16 4.13 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.56 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 70 D 8.42 4.37 0.00 2.70 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 4.07 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.80 0.00 72 K 7.82 4.02 0.00 1.85 1.98 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 73 E 8.16 3.95 0.00 2.14 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 2.39 2.32 0.00 74 A 8.04 3.96 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 75 E 8.66 3.91 0.00 2.15 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 2.39 0.00 76 K 8.09 4.03 0.00 2.00 2.06 0.00 1.31 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.66 1.54 7.81 77 N 8.31 4.45 0.00 3.00 2.90 0.00 0.00 6.88 6.27 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 78 L 8.25 4.01 0.00 1.86 1.71 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.12 3.92 0.00 1.99 1.86 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.63 7.81 80 D 8.29 4.45 0.00 2.73 2.75 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 81 L 7.36 4.32 0.00 1.81 1.71 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.53 3.79 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 0.00 0.00 0.00 83 K 7.57 5.06 0.00 1.84 1.68 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.55 7.81