NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 G 3.9272 8.3549 109.7366 45.5058 0.0000 172.6866 13 I 4.2206 7.9575 126.7709 58.8624 38.8923 173.6790 14 L 4.7993 9.7609 128.4608 53.6991 46.0929 174.6127 15 T 5.1119 8.5777 121.9863 61.9084 70.7588 173.6861 16 I 4.5731 9.0768 126.1050 59.3676 41.4135 173.8654 17 R 4.9298 8.7069 128.1898 54.9551 31.8434 175.5294 18 L 4.7361 8.6501 123.5955 52.6850 44.3070 175.4626 19 L 4.5232 8.5408 126.5909 55.1576 42.9564 175.8970 20 M 4.9690 9.2164 125.5574 53.7801 36.7192 174.7792 21 H 4.6831 10.0421 121.4004 55.7764 29.6773 176.7883 22 G 3.7354 8.4180 109.0734 47.8494 0.0000 176.0100 23 K 4.0889 7.9730 121.2741 59.3867 32.4286 178.1605 24 E 3.9408 8.3468 118.6435 59.8033 29.2658 179.6809 25 V 3.9187 8.1654 117.0918 63.6770 31.1457 177.8766 26 G 3.7262 7.9240 107.3041 47.5649 0.0000 175.9612 27 S 4.1089 7.9135 114.6319 61.3928 62.5178 176.1003 28 I 3.8443 7.8404 121.8623 62.9869 37.8993 175.9646 29 I 4.4252 6.9071 120.6408 58.7631 35.8338 174.5893 30 G 4.0965 7.7216 112.4526 43.8717 0.0000 170.4841 31 K 3.7131 8.3979 116.5751 58.0388 32.4799 177.4999 32 K 4.2134 8.8463 127.5405 56.8972 30.7359 176.4665 33 G 3.9300 7.0669 114.3025 45.3766 0.0000 174.4478 34 E 4.0062 7.8096 122.5154 59.0830 29.3563 179.2846 35 S 4.0560 7.9248 113.8199 61.3893 62.5506 176.3571 36 V 3.6030 7.3179 115.3717 63.9913 31.2252 178.0526 37 K 3.7929 8.0177 119.5513 60.1327 31.9134 178.2845 38 R 3.8664 8.2581 117.9119 59.8860 29.7929 179.0579 39 I 3.8606 8.1267 119.1606 64.3274 37.0019 178.9903 40 R 3.9946 8.3161 119.3589 59.4362 29.9059 178.8971 41 E 3.9830 8.0477 116.8351 58.6183 29.5337 178.0812 42 E 4.4403 8.4801 117.5769 56.4556 30.5182 176.6715 43 S 4.7183 7.7601 111.1533 57.6124 64.5320 175.5513 44 G 3.8723 8.2898 108.9349 45.8460 0.0000 173.2585 45 A 4.4196 7.4622 120.8970 50.9782 20.0457 177.8103 46 R 4.2292 8.8800 121.3276 55.8724 31.3381 175.3186 47 I 5.0557 8.4001 126.8975 59.5430 39.9906 174.4287 48 N 5.1462 9.2065 125.1735 51.8937 42.7061 173.2396 49 I 5.5892 8.4009 124.2476 58.6859 40.7407 175.1759 50 S 4.3509 8.9846 122.5280 58.7173 63.4947 173.8397 51 E 4.4200 8.7825 119.9688 55.2797 31.7818 174.7662 52 G 3.9546 8.3933 107.3704 47.3094 0.0000 172.8769 53 N 4.2265 8.8378 117.3895 53.6514 36.3970 173.3353 54 C 4.8592 7.6938 116.8345 56.6903 34.7392 171.6095 55 P 4.4709 0.0000 0.0000 65.5987 31.8429 175.8016 56 E 4.9110 8.0954 116.7281 54.8534 31.4875 175.9337 57 R 4.6882 8.9356 121.9339 54.5064 34.6681 174.3100 58 I 4.6726 8.3803 124.1995 60.4381 39.1931 174.8793 59 I 4.5925 8.8947 128.2206 60.0344 39.1920 174.6252 60 T 4.7371 9.0504 125.5092 62.3988 70.2907 174.1715 61 L 5.1082 9.1148 126.6408 53.4181 44.5215 175.4825 62 T 5.0050 10.3003 121.6537 60.5422 71.7720 175.1557 63 G 4.1906 8.1635 113.6028 43.5491 0.0000 169.9151 64 P 4.6457 0.0000 0.0000 62.5490 33.2354 176.9312 65 T 3.9040 8.5153 116.7080 67.3526 68.3379 175.9596 66 N 4.3187 8.3074 117.0748 56.5508 38.6193 177.1090 67 A 4.2520 7.9257 122.6585 54.6014 18.4877 179.4829 68 I 3.6442 8.1046 118.5567 64.7074 37.2307 178.5074 69 F 4.0576 8.9016 121.6874 61.0420 39.1061 177.0578 70 K 4.0505 8.6808 118.3871 59.5381 32.0466 178.8683 71 A 3.9740 8.0223 120.6318 55.2498 18.2890 179.0430 72 F 3.9752 8.5891 119.2030 61.6096 39.3801 177.1505 73 A 3.6913 8.4124 120.2044 55.5413 18.3615 179.5168 74 M 4.0076 8.2056 117.1172 58.5548 31.8181 178.9514 75 I 3.6699 7.4605 119.7722 64.0770 37.3530 178.1562 76 I 3.3555 7.4251 120.4813 64.6761 36.8663 178.0428 77 D 4.2368 8.0125 119.3172 57.1851 40.4955 178.5479 78 K 4.1458 7.2908 119.3404 59.1398 32.3721 178.5474 79 L 4.5074 8.0082 120.4390 56.9094 41.4726 179.2421 80 E 3.9215 8.1861 119.9041 59.1323 29.5870 178.2575 81 E 4.1701 8.2120 114.5779 57.5523 29.3275 177.6228 82 D 4.5308 7.7812 120.7388 55.5996 41.6792 176.6889 83 I 3.9176 7.4720 117.4193 61.0080 37.6180 175.6858 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 12 G 8.35 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 0.00 0.00 0.00 13 I 7.96 4.22 1.87 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 1.23 0.74 0.88 0.00 0.00 14 L 9.76 4.80 0.00 1.59 1.44 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.58 5.11 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 16 I 9.08 4.57 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.47 0.93 0.00 0.00 17 R 8.71 4.93 0.00 1.71 1.83 0.00 3.26 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 18 L 8.65 4.74 0.00 1.68 1.58 1.05 0.69 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 19 L 8.54 4.52 0.00 1.63 1.55 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 20 M 9.22 4.97 0.00 1.87 1.96 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 2.51 2.65 0.00 21 H 10.04 4.68 0.00 3.25 3.20 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.42 3.74 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 0.00 0.00 0.00 23 K 7.97 4.09 0.00 1.82 1.80 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.52 7.81 24 E 8.35 3.94 0.00 2.29 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 2.42 2.44 0.00 25 V 8.17 3.92 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 0.76 0.00 0.00 0.93 0.00 0.00 26 G 7.92 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 27 S 7.91 4.11 0.00 3.88 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.84 3.84 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.52 0.90 0.00 0.00 29 I 6.91 4.43 1.87 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 1.23 0.67 0.91 0.00 0.00 30 G 7.72 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 31 K 8.40 3.71 0.00 1.82 1.80 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.51 7.81 32 K 8.85 4.21 0.00 1.92 2.00 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.36 7.81 33 G 7.07 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 0.00 0.00 0.00 34 E 7.81 4.01 0.00 2.12 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 0.00 2.28 2.45 0.00 35 S 7.92 4.06 0.00 3.91 4.04 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 36 V 7.32 3.60 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 0.73 0.00 0.00 0.96 0.00 0.00 37 K 8.02 3.79 0.00 1.97 1.97 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.51 7.81 38 R 8.26 3.87 0.00 2.05 1.95 0.00 3.35 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.83 0.00 39 I 8.13 3.86 1.86 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 1.50 1.14 0.91 0.00 0.00 40 R 8.32 3.99 0.00 1.98 1.97 0.00 3.13 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 1.65 1.91 0.00 41 E 8.05 3.98 0.00 2.10 2.02 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 2.35 2.32 0.00 42 E 8.48 4.44 0.00 2.04 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 2.27 2.30 0.00 43 S 7.76 4.72 0.00 4.18 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 44 G 8.29 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.46 4.42 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 46 R 8.88 4.23 0.00 1.90 1.82 0.00 3.04 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 47 I 8.40 5.06 1.88 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 1.25 0.81 0.92 0.00 0.00 48 N 9.21 5.15 0.00 2.72 2.60 0.00 0.00 6.52 7.96 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 49 I 8.40 5.59 1.87 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 1.03 1.86 0.91 0.00 0.00 50 S 8.98 4.35 0.00 3.87 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 51 E 8.78 4.42 0.00 2.08 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 2.19 2.22 0.00 52 G 8.39 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 53 N 8.84 4.23 0.00 2.88 2.91 0.00 0.00 6.70 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 54 C 7.69 4.86 0.00 2.88 2.76 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 0.00 0.00 0.00 55 P 0.00 4.47 0.00 2.12 2.12 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 56 E 8.10 4.91 0.00 1.84 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 2.25 2.26 0.00 57 R 8.94 4.69 0.00 1.77 1.76 0.00 3.28 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 58 I 8.38 4.67 1.87 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 1.23 1.41 0.91 0.00 0.00 59 I 8.89 4.59 1.89 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 1.23 0.75 0.92 0.00 0.00 60 T 9.05 4.74 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 1.21 0.00 0.00 61 L 9.11 5.11 0.00 1.54 1.58 1.01 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 62 T 10.30 5.01 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 63 G 8.16 4.19 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 0.00 64 P 0.00 4.65 0.00 2.29 2.20 0.00 3.76 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 2.09 2.06 0.00 65 T 8.52 3.90 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 1.22 0.00 0.00 66 N 8.31 4.32 0.00 2.75 2.91 0.00 0.00 6.88 7.79 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 67 A 7.93 4.25 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 68 I 8.10 3.64 2.10 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 1.73 0.86 0.91 0.00 0.00 69 F 8.90 4.06 0.00 3.25 3.10 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 70 K 8.68 4.05 0.00 2.08 1.91 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.81 7.81 71 A 8.02 3.97 1.43 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 0.00 0.00 0.00 72 F 8.59 3.98 0.00 3.00 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 73 A 8.41 3.69 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 74 M 8.21 4.01 0.00 2.04 2.11 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 2.82 2.59 0.00 75 I 7.46 3.67 1.91 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 1.46 0.61 0.75 0.00 0.00 76 I 7.43 3.36 1.66 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 -0.02 0.75 0.00 0.00 77 D 8.01 4.24 0.00 2.88 2.66 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 0.00 0.00 0.00 0.00 78 K 7.29 4.15 0.00 1.94 1.80 0.00 1.64 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.47 7.81 79 L 8.01 4.51 0.00 1.79 1.65 0.85 0.66 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 80 E 8.19 3.92 0.00 2.19 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 2.28 2.28 0.00 81 E 8.21 4.17 0.00 2.26 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 2.25 2.70 0.00 82 D 7.78 4.53 0.00 2.91 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 83 I 7.47 3.92 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.51 0.90 0.00 0.00