NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3216 8.4444 120.2282 55.9874 31.2050 175.5770 4 R 3.7625 8.1369 119.0781 55.8339 30.6834 174.1935 5 K 4.4616 9.1627 123.8497 56.1413 35.5231 175.5582 6 I 4.3419 7.2505 118.9812 59.6381 38.3718 174.7810 7 F 4.6785 9.1294 124.1959 57.1675 41.2221 175.2070 8 N 5.5514 8.6844 116.2352 51.2134 39.7322 174.1514 9 R 4.6330 8.6093 116.8580 55.9009 31.1128 178.3857 10 L 3.9610 8.8817 122.7330 58.2998 41.9829 178.5100 11 K 3.9673 8.0999 118.9023 59.7455 32.1069 178.7020 12 S 4.1246 8.0258 114.8770 61.6474 62.7654 176.7588 13 V 3.5774 8.1564 121.2356 65.7331 31.2301 177.9084 14 L 3.9256 8.3759 119.0755 57.9022 41.5028 179.4507 15 A 3.9628 8.0090 120.4682 55.1444 18.0898 179.3954 16 E 3.8997 8.1448 116.2219 59.3764 29.6818 178.9892 17 K 4.2822 8.0206 115.1317 55.3107 32.4205 176.9111 18 G 3.8763 7.7481 107.2051 46.6047 0.0000 173.9323 19 K 4.3229 7.8544 117.5224 54.1837 34.9942 176.6834 20 T 4.6130 7.9868 111.6000 60.0546 72.3033 175.3866 21 N 4.3990 8.6568 118.4275 56.5874 38.5386 177.2464 22 L 3.9474 8.0067 121.0148 57.8802 42.1227 178.4700 23 W 4.1779 8.3403 128.2910 60.5889 30.5229 177.7210 24 L 3.4671 8.1990 120.2048 58.0398 41.5737 178.8630 25 T 3.7653 8.1878 110.2078 64.8466 68.4033 176.0872 26 E 3.8257 8.1070 122.2111 59.1073 29.4901 178.7645 27 T 3.6079 7.4460 114.8074 66.1186 68.5290 175.7586 28 L 4.2760 7.7996 117.5469 53.3745 43.1670 175.7162 29 D 4.2873 7.4579 118.0149 55.5913 39.8442 171.9565 30 K 4.6446 7.7924 116.8918 54.3055 35.9153 176.9252 31 N 4.5822 8.1316 117.1942 52.4397 40.5400 176.3206 32 K 3.7469 8.6134 124.1882 60.2602 32.2209 179.6868 33 T 3.7949 7.7412 108.9688 64.8036 68.7145 176.5740 34 T 3.4483 7.4894 118.1118 66.3707 68.4502 176.5630 35 V 2.7638 6.9949 119.9008 65.7064 31.4283 178.1368 36 S 4.0923 8.1369 115.1967 61.6741 62.7247 176.8994 37 K 4.0047 8.0393 121.0727 59.0789 31.7279 179.5083 38 W 5.0766 7.8194 120.5732 59.7789 28.8310 178.3321 39 C 4.3331 8.3618 115.7489 62.7067 27.6608 175.3863 40 T 4.3117 8.0201 108.4187 61.0769 68.7707 174.3942 41 N 4.4179 8.0038 117.5152 54.8491 36.7446 175.2420 42 D 4.6229 8.3021 120.5628 56.2874 41.7130 177.4690 43 V 4.5533 7.5595 117.0019 61.0684 34.7399 173.6662 44 Q 4.7705 8.5126 125.1223 53.5692 30.1939 174.0492 45 P 4.2164 0.0000 0.0000 61.9567 32.1055 176.7807 46 S 4.2818 8.1714 114.5363 58.1689 64.9207 175.0815 47 L 3.9719 8.3173 123.7552 58.3375 41.9755 178.8573 48 E 3.9728 8.1575 118.0831 59.9173 29.4212 179.4080 49 T 4.0479 8.1527 115.7839 66.3755 68.3350 176.6253 50 L 3.8099 8.1339 121.4244 57.9907 41.6548 179.6265 51 F 3.9671 8.4596 117.4804 60.5924 38.8183 177.4957 52 D 4.4238 8.1144 118.3979 57.3555 40.6287 178.8911 53 I 3.7407 8.1984 120.5159 64.3492 37.1228 178.2833 54 A 3.9932 8.2593 121.9725 55.1553 18.1332 179.3181 55 E 3.8974 8.4395 117.5726 59.3522 29.5184 178.8635 56 A 4.1296 7.9870 119.7542 55.1436 18.6156 179.0205 57 L 4.2418 8.2318 114.7347 54.4804 42.9849 176.1892 58 N 4.1951 7.8430 116.9439 54.6593 37.6894 173.6210 59 V 4.4949 7.6245 115.5366 59.2539 35.1685 175.4227 60 D 4.3250 8.5310 121.3034 54.2346 41.6777 177.3264 61 V 3.3855 8.4435 126.9116 65.2829 31.0409 178.4638 62 R 3.8211 8.1244 117.7521 59.1599 29.6381 178.3778 63 E 4.1137 7.9986 116.9808 58.4538 29.7435 178.4814 64 L 4.1623 8.0285 118.7627 55.2087 41.9441 175.9915 65 I 4.9055 6.7700 119.3751 58.9486 39.3805 175.9316 66 V 3.7076 8.3310 126.7404 63.0531 31.8685 175.7196 67 S 4.4417 8.7386 123.1310 58.3647 62.9661 173.6436 68 T 4.5451 8.5645 114.7268 61.2640 69.3267 174.3823 69 K 4.1629 7.7867 126.8241 57.0068 33.1730 175.9082 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 3 E 8.44 4.32 0.00 1.97 2.05 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 2.22 2.31 0.00 4 R 8.14 3.76 0.00 1.71 1.62 0.00 2.52 0.00 0.00 2.90 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.36 0.00 5 K 9.16 4.46 0.00 1.69 1.81 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.36 7.81 6 I 7.25 4.34 1.74 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 1.39 0.51 0.88 0.00 0.00 7 F 9.13 4.68 0.00 3.22 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 8 N 8.68 5.55 0.00 2.93 2.93 0.00 0.00 6.82 7.85 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 9 R 8.61 4.63 0.00 1.94 1.92 0.00 3.13 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 10 L 8.88 3.96 0.00 1.80 1.88 1.04 0.77 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 11 K 8.10 3.97 0.00 2.04 1.83 0.00 1.81 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.57 7.81 12 S 8.03 4.12 0.00 4.05 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 13 V 8.16 3.58 2.10 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 1.10 0.00 0.00 0.97 0.00 0.00 14 L 8.38 3.93 0.00 1.90 1.94 1.05 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.01 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 16 E 8.14 3.90 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 2.33 2.57 0.00 17 K 8.02 4.28 0.00 1.55 1.64 0.00 1.79 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.51 7.81 18 G 7.75 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 0.00 0.00 0.00 19 K 7.85 4.32 0.00 1.37 1.08 0.00 0.61 0.00 0.00 1.08 0.00 0.00 2.49 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.95 0.21 7.81 20 T 7.99 4.61 4.31 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 0.00 0.00 0.00 1.24 0.00 0.00 21 N 8.66 4.40 0.00 2.83 2.95 0.00 0.00 6.43 6.74 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 22 L 8.01 3.95 0.00 1.79 1.74 0.93 0.98 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 23 W 8.34 4.18 0.00 3.48 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.20 3.47 0.00 2.19 1.92 1.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.19 3.77 4.35 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 1.18 0.00 0.00 26 E 8.11 3.83 0.00 2.06 1.84 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 2.26 2.30 0.00 27 T 7.45 3.61 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 28 L 7.80 4.28 0.00 1.70 1.75 1.04 1.35 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 29 D 7.46 4.29 0.00 2.68 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 30 K 7.79 4.64 0.00 1.65 1.55 0.00 1.98 0.00 0.00 1.78 0.00 0.00 3.32 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.69 7.81 31 N 8.13 4.58 0.00 2.69 2.63 0.00 0.00 6.77 6.97 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 32 K 8.61 3.75 0.00 1.73 1.83 0.00 1.64 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.49 7.81 33 T 7.74 3.79 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 34 T 7.49 3.45 3.86 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 0.00 0.00 0.60 0.00 0.00 35 V 6.99 2.76 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 1.16 0.00 0.00 0.72 0.00 0.00 36 S 8.14 4.09 0.00 3.96 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 37 K 8.04 4.00 0.00 1.82 1.88 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.59 7.81 38 W 7.82 5.08 0.00 3.63 3.09 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 0.00 0.00 0.00 39 C 8.36 4.33 0.00 3.16 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 40 T 8.02 4.31 4.28 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 1.26 0.00 0.00 41 N 8.00 4.42 0.00 2.99 3.22 0.00 0.00 6.94 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 42 D 8.30 4.62 0.00 2.85 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 43 V 7.56 4.55 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 1.21 0.00 0.00 0.98 0.00 0.00 44 Q 8.51 4.77 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.22 1.98 0.00 45 P 0.00 4.22 0.00 1.59 0.49 0.00 3.57 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.02 0.00 46 S 8.17 4.28 0.00 4.19 4.03 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 0.00 0.00 0.00 47 L 8.32 3.97 0.00 1.80 1.73 1.09 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.16 3.97 0.00 2.08 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 2.34 2.38 0.00 49 T 8.15 4.05 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 50 L 8.13 3.81 0.00 1.86 1.59 0.84 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.46 3.97 0.00 3.16 3.11 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 52 D 8.11 4.42 0.00 2.89 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 53 I 8.20 3.74 1.95 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.89 0.98 0.00 0.00 54 A 8.26 3.99 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.44 3.90 0.00 2.19 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 2.36 2.38 0.00 56 A 7.99 4.13 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 57 L 8.23 4.24 0.00 1.84 1.77 1.04 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 58 N 7.84 4.20 0.00 2.81 2.82 0.00 0.00 6.90 8.77 0.00 0.00 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 V 7.62 4.49 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 0.79 0.00 0.00 0.92 0.00 0.00 60 D 8.53 4.32 0.00 2.74 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.44 3.39 1.38 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 0.17 0.00 0.00 0.24 0.00 0.00 62 R 8.12 3.82 0.00 1.98 2.00 0.00 3.10 0.00 0.00 3.32 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 63 E 8.00 4.11 0.00 2.03 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 2.32 2.31 0.00 64 L 8.03 4.16 0.00 1.73 1.64 0.84 0.68 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 65 I 6.77 4.91 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 1.09 0.51 0.94 0.00 0.00 66 V 8.33 3.71 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 0.65 0.00 0.00 0.96 0.00 0.00 67 S 8.74 4.44 0.00 3.91 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 68 T 8.56 4.55 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 69 K 7.79 4.16 0.00 1.71 1.67 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.36 7.81