NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2670 8.1133 117.2720 56.4056 30.8150 176.3240 11 S 3.8096 8.5976 111.9105 58.1876 62.5526 174.3344 12 G 3.7104 7.8280 110.9411 47.1898 0.0000 175.9372 13 R 4.1186 7.6577 116.7338 58.3602 29.9856 177.6579 14 F 5.1001 8.0254 117.6478 58.6338 39.3828 176.6012 15 G 3.7902 8.0345 107.5716 47.0656 0.0000 174.0757 16 A 4.3967 8.5254 128.0258 52.3573 18.6219 177.4491 17 R 4.0892 7.3374 117.3133 57.1960 31.6005 175.8450 18 Y 4.0942 8.1168 118.3953 56.9996 36.4325 170.7345 19 G 3.9749 8.0304 103.4399 44.7186 0.0000 172.6881 20 R 3.8106 7.9844 115.1470 59.2669 29.5886 179.0528 21 V 3.4787 7.8935 117.5278 66.8357 32.0405 178.1497 22 S 4.1108 8.1333 114.0647 61.8222 62.7086 176.7134 23 R 4.4958 7.7812 116.0312 57.4098 29.7018 178.4353 24 R 3.9473 8.4520 120.9962 59.6152 30.1608 178.4305 25 R 3.8980 8.4286 118.3728 59.2840 30.1075 179.0845 26 V 3.6877 7.7439 117.3535 66.1211 31.3458 177.6736 27 A 3.9972 7.7520 120.6933 54.8239 18.2283 179.0910 28 E 3.8969 8.2672 116.0577 59.6486 29.7615 179.8791 29 I 3.6877 8.1033 119.7593 64.6853 37.3377 178.4252 30 E 4.1499 8.3071 118.6684 58.6949 29.2933 179.3946 31 S 4.0986 8.5914 114.2679 61.3550 62.3185 175.6679 32 E 4.2509 8.4348 121.0131 59.0502 29.4198 178.0166 33 M 4.8947 7.9234 119.3620 57.8731 32.4817 177.0798 34 N 4.8112 8.0054 113.6844 52.7899 39.4163 175.3374 35 E 4.1124 7.0087 119.5040 56.3912 30.2159 176.1461 36 D 4.5718 8.3761 120.7176 54.6365 41.7157 175.6003 37 H 5.0164 8.3045 120.0210 53.6858 31.7434 173.9190 38 A 4.4203 8.5619 124.2609 51.7166 18.6248 176.9455 39 C 4.1405 9.1671 124.0880 59.8344 31.6376 172.5421 40 P 4.2381 0.0000 0.0000 65.2338 31.1465 176.8359 41 N 3.9620 7.3792 116.6471 55.2498 39.0376 178.0751 42 C 4.5173 8.0162 119.1511 57.6415 32.5935 174.3040 43 G 4.0747 8.4472 108.9054 45.5359 0.0000 172.9508 44 E 3.9667 7.9626 120.0834 56.1010 30.5802 176.7443 45 D 4.8791 8.2651 124.5322 53.1299 38.8830 176.2482 46 R 4.7568 7.6259 115.2626 55.6916 33.1165 175.5891 47 V 4.7878 8.1188 120.4302 62.5643 32.9144 174.6847 48 D 5.4507 9.4474 127.1219 52.2823 45.0013 175.3958 49 R 3.5442 8.7924 121.9172 56.2931 30.5856 176.2267 50 Q 4.3277 8.6933 123.4127 55.2762 30.7595 175.6300 51 G 3.6574 6.7401 103.7807 45.6982 0.0000 171.2417 52 T 3.6394 8.3706 116.9361 64.7686 68.4433 174.4353 53 G 4.3336 8.5485 113.8365 46.7114 0.0000 171.6409 54 I 4.5822 7.0406 120.9983 58.9281 39.6515 174.7869 55 W 4.9513 8.6674 126.8870 54.8979 32.9075 174.4462 56 Q 5.5852 9.0868 122.5733 54.4308 32.8512 172.8204 57 C 5.2622 8.8909 125.8907 58.3210 32.5991 174.5418 58 S 4.2967 8.9644 121.4790 60.8683 62.8326 174.8408 59 Y 4.4078 7.9154 122.5575 59.6188 38.0178 175.4135 60 C 4.1668 7.9836 112.1482 57.4251 30.6284 174.2957 61 D 4.5651 8.3801 119.0669 55.1029 38.6412 172.9023 62 Y 4.4087 7.6334 122.3026 58.0078 39.6041 174.5168 63 K 5.0150 8.5229 129.1719 54.9207 33.7183 175.1599 64 F 4.9589 9.0776 121.9524 55.9086 41.9463 173.0922 65 T 4.8567 8.5157 109.0855 61.0884 70.3082 175.0852 66 G 4.3579 7.8012 109.4623 47.2197 0.0000 172.4364 67 G 4.0972 8.5038 112.2542 45.1335 0.0000 174.5629 68 S 4.0350 8.4396 114.6487 60.6825 62.9216 175.1530 69 Y 5.0158 7.7812 114.5146 57.4427 39.8760 175.0955 70 K 4.7767 7.9529 118.9490 53.5974 36.3261 175.4031 71 P 2.9700 0.0000 0.0000 64.1300 31.6560 176.0497 72 E 4.8636 7.5981 117.3714 53.9253 33.1437 175.2877 73 T 4.6831 8.0737 112.3928 58.9954 72.6446 173.5271 74 P 4.3220 0.0000 0.0000 66.0942 31.7128 178.8270 75 G 3.8901 8.1998 103.8018 47.7780 0.0000 175.6161 76 G 3.6863 8.1422 107.9407 47.5866 0.0000 175.5565 77 K 4.2590 8.0639 118.6435 58.1766 31.9162 179.1061 78 T 4.0913 7.8114 117.2235 66.1830 68.2815 176.5863 79 V 3.6019 7.0807 118.3227 66.2057 31.4938 177.1357 80 R 4.0375 8.0678 115.2840 59.4424 30.2344 177.8096 81 R 3.4330 7.2850 110.3582 60.2278 30.1273 176.9116 82 S 4.2945 8.6817 119.6253 59.3101 62.6657 175.0742 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 10 R 8.11 4.27 0.00 1.99 1.45 0.00 2.93 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 11 S 8.60 3.81 0.00 4.08 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 12 G 7.83 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 13 R 7.66 4.12 0.00 1.91 1.96 0.00 2.84 0.00 0.00 3.01 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.18 0.00 14 F 8.03 5.10 0.00 3.52 3.24 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 0.00 15 G 8.03 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 16 A 8.53 4.40 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.34 4.09 0.00 0.67 0.66 0.00 2.90 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.31 0.00 18 Y 8.12 4.09 0.00 3.06 2.98 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 19 G 8.03 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 0.00 0.00 0.00 20 R 7.98 3.81 0.00 1.88 1.87 0.00 3.18 0.00 0.00 3.27 8.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 21 V 7.89 3.48 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 1.10 0.00 0.00 0.94 0.00 0.00 22 S 8.13 4.11 0.00 3.92 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 23 R 7.78 4.50 0.00 2.33 2.54 0.00 3.13 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.73 0.00 24 R 8.45 3.95 0.00 1.95 2.12 0.00 3.11 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 1.64 1.68 0.00 25 R 8.43 3.90 0.00 1.85 1.93 0.00 3.18 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 26 V 7.74 3.69 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 1.14 0.00 0.00 1.15 0.00 0.00 27 A 7.75 4.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.27 3.90 0.00 2.05 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 2.35 2.64 0.00 29 I 8.10 3.69 1.84 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.97 0.57 0.00 0.00 30 E 8.31 4.15 0.00 2.07 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 2.31 2.48 0.00 31 S 8.59 4.10 0.00 3.97 4.01 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 0.00 0.00 0.00 32 E 8.43 4.25 0.00 2.11 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 0.00 2.38 2.35 0.00 33 M 7.92 4.89 0.00 2.34 2.44 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.05 2.69 0.00 34 N 8.01 4.81 0.00 2.82 2.89 0.00 0.00 7.07 7.47 0.00 0.00 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 E 7.01 4.11 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 36 D 8.38 4.57 0.00 2.54 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 37 H 8.30 5.02 0.00 2.91 3.11 0.00 5.61 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 38 A 8.56 4.42 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 39 C 9.17 4.14 0.00 3.09 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 40 P 0.00 4.24 0.00 1.84 1.89 0.00 3.54 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.76 0.00 41 N 7.38 3.96 0.00 1.94 2.45 0.00 0.00 7.00 7.65 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 42 C 8.02 4.52 0.00 3.26 3.07 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 0.00 0.00 0.00 43 G 8.45 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 44 E 7.96 3.97 0.00 1.95 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 1.79 2.19 0.00 45 D 8.27 4.88 0.00 2.55 2.63 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 46 R 7.63 4.76 0.00 1.83 1.97 0.00 3.34 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 47 V 8.12 4.79 2.38 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 1.28 0.00 0.00 1.22 0.00 0.00 48 D 9.45 5.45 0.00 2.63 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.79 3.54 0.00 0.91 1.45 0.00 2.89 0.00 0.00 2.89 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.50 0.00 50 Q 8.69 4.33 0.00 1.75 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.17 2.32 0.00 51 G 6.74 3.66 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 0.00 0.00 0.00 52 T 8.37 3.64 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 1.05 0.00 0.00 53 G 8.55 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.04 4.58 1.58 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.97 0.72 0.00 0.00 55 W 8.67 4.95 0.00 1.89 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 56 Q 9.09 5.59 0.00 2.06 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 57 C 8.89 5.26 0.00 3.31 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 58 S 8.96 4.30 0.00 4.12 4.06 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 59 Y 7.92 4.41 0.00 2.90 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 60 C 7.98 4.17 0.00 3.04 2.95 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 61 D 8.38 4.57 0.00 2.92 2.89 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 62 Y 7.63 4.41 0.00 3.23 3.02 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 0.00 0.00 0.00 63 K 8.52 5.01 0.00 1.79 1.63 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.36 7.81 64 F 9.08 4.96 0.00 2.97 2.30 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.52 4.86 4.27 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 0.00 0.00 0.00 1.21 0.00 0.00 66 G 7.80 4.36 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 0.00 67 G 8.50 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 68 S 8.44 4.03 0.00 3.04 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 69 Y 7.78 5.02 0.00 3.18 3.01 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 0.00 0.00 0.00 70 K 7.95 4.78 0.00 1.81 1.51 0.00 1.80 0.00 0.00 1.95 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.58 1.51 7.81 71 P 0.00 2.97 0.00 1.86 0.86 0.00 2.99 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.26 0.00 72 E 7.60 4.86 0.00 1.85 1.80 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 2.18 2.19 0.00 73 T 8.07 4.68 4.26 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 74 P 0.00 4.32 0.00 2.05 2.18 0.00 3.71 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 2.05 2.18 0.00 75 G 8.20 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 0.00 0.00 0.00 76 G 8.14 3.69 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 0.00 0.00 0.00 77 K 8.06 4.26 0.00 1.89 1.87 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.24 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.65 7.81 78 T 7.81 4.09 4.42 0.00 0.00 0.00 0.00 0.00 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 79 V 7.08 3.60 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 0.84 0.00 0.00 0.94 0.00 0.00 80 R 8.07 4.04 0.00 1.83 2.00 0.00 3.29 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 81 R 7.29 3.43 0.00 2.01 1.82 0.00 3.18 0.00 0.00 3.27 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 82 S 8.68 4.29 0.00 3.97 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