NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0173 8.0393 120.3898 63.0017 32.4702 174.2567 2 Q 4.2514 8.7797 124.4617 53.9064 31.5379 171.5141 3 R 3.9170 8.6259 117.6362 58.6814 30.8017 177.0334 4 G 3.9925 8.9008 114.6495 45.2918 0.0000 173.7376 5 S 4.3368 8.3358 115.9556 58.6861 64.4767 173.2598 6 K 4.8810 8.4289 120.5109 54.9454 34.3272 175.9377 7 V 4.8338 8.8493 117.8527 59.3512 36.2946 174.3486 8 K 4.8695 8.8223 125.9109 55.0945 33.9126 175.6617 9 I 4.1513 8.5833 128.9714 61.3925 37.9602 176.3681 10 L 4.7612 9.0924 125.2758 54.3982 43.5275 176.7056 11 R 4.2356 8.2505 120.7978 55.2602 30.0329 174.6774 12 P 3.4430 0.0000 0.0000 65.4764 31.3435 177.3017 13 E 4.2501 8.0072 112.3965 56.4156 30.1050 176.2495 14 S 4.4978 8.0604 115.7588 57.9229 63.2085 174.4253 15 Y 3.6936 8.5167 127.7096 59.7972 38.7391 176.7026 16 W 4.7091 8.1380 118.3824 56.1787 29.3380 174.9804 17 Y 4.3549 7.5286 119.8228 59.5398 38.3693 176.7278 18 N 3.9904 7.8794 122.2432 53.4385 37.5009 173.7855 19 E 4.6490 8.2697 118.7894 54.9301 32.6514 174.5894 20 V 4.8574 8.3794 120.1677 61.4854 33.9226 174.5454 21 G 3.8094 9.1052 114.1555 44.2969 0.0000 170.8923 22 T 5.0275 7.7899 109.2802 59.1746 71.3040 173.9967 23 V 3.9722 8.5730 126.9053 63.4367 31.9304 176.1416 24 A 4.4876 9.4910 130.1301 51.5962 20.0545 177.0515 25 S 4.7969 6.9689 111.5501 58.2988 64.1463 176.0829 26 V 4.7587 7.8381 119.8355 60.9910 33.6418 174.0777 27 D 4.5952 8.6184 127.4504 53.9023 41.5441 175.8487 28 Q 4.3876 8.5327 124.2111 55.7109 29.5139 175.8078 29 T 3.8305 8.0318 116.0305 63.3378 68.8232 171.7029 30 P 4.2415 0.0000 0.0000 64.1323 31.9177 175.8983 31 G 3.9771 8.8501 109.9434 45.4264 0.0000 173.8004 32 V 3.6003 7.0365 119.2110 62.9424 31.5170 175.9496 33 K 3.8909 8.7082 127.7287 58.8916 32.1126 176.8677 34 Y 4.6740 7.4017 115.7485 55.0937 38.6018 172.8148 35 P 4.4211 0.0000 0.0000 65.2774 33.5003 176.5056 36 V 3.8183 8.1729 121.6040 62.4514 32.3465 175.7579 37 I 4.7373 8.7193 131.2675 60.4842 37.8706 175.1558 38 V 4.5093 8.8287 128.0517 61.1136 33.8181 174.5393 39 R 4.9273 8.0128 126.2392 54.5073 33.0564 174.3230 40 F 4.9947 8.9606 122.3920 55.6237 42.2982 175.1831 41 D 4.5527 9.0810 120.3328 56.1474 41.0806 177.2209 42 K 4.8018 8.0344 116.3416 54.8004 34.9451 176.2835 43 V 4.3462 8.2876 114.4443 61.2981 32.7922 176.1994 44 N 3.1400 7.7553 120.0323 51.5040 38.5808 174.5258 45 Y 4.3916 7.3894 113.3305 60.2386 38.5457 175.8386 46 T 3.7965 7.5939 116.5812 63.0809 68.8633 172.9896 47 G 4.3521 8.3891 116.5871 44.1018 0.0000 171.6563 48 Y 4.2432 8.0253 123.0778 56.5770 39.6095 175.0510 49 S 3.9266 7.5539 118.8497 60.3791 62.4533 174.8285 50 G 3.9323 8.8686 115.1387 45.2131 0.0000 173.1194 51 S 4.2532 7.9763 114.6799 58.0505 63.1724 174.3452 52 A 4.7604 8.0825 131.7108 50.9174 19.4039 176.2742 53 S 4.5523 7.6122 116.9428 59.7962 68.1054 173.3225 54 G 3.7258 9.3894 115.6601 45.9969 0.0000 171.2969 55 V 3.2650 8.3958 125.6605 62.9804 29.7306 171.3081 56 N 5.4132 8.5506 123.2392 52.4430 38.8842 173.3764 57 T 5.1857 8.0347 112.3057 61.4106 70.6543 172.0954 58 N 5.0645 9.3114 125.3018 52.7403 43.2168 172.3217 59 N 5.6092 8.3506 119.0122 51.8261 41.1029 174.1681 60 F 5.2061 9.5503 119.7284 55.9838 44.3010 173.5771 61 A 4.8442 9.4147 121.6177 50.8342 20.4188 178.7140 62 L 3.9584 8.7475 119.9484 58.2593 41.8407 179.1002 63 H 4.5882 8.3161 110.7981 56.8731 28.9272 175.1596 64 E 4.6065 8.4626 120.0884 56.5995 30.6142 175.7214 65 V 4.8211 7.6511 112.0067 59.4134 35.5710 175.2551 66 Q 4.3475 8.4458 122.3944 54.1349 31.8145 173.9424 67 E 4.1091 8.9618 128.1969 56.9567 29.9013 174.9271 68 V 4.2845 8.5968 117.0254 61.4149 33.9302 175.8069 69 A 4.1197 7.8848 129.0690 52.8540 18.1022 177.3266 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 V 8.04 4.02 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 0.99 0.00 0.00 0.91 0.00 0.00 2 Q 8.78 4.25 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.72 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 3 R 8.63 3.92 0.00 1.77 1.91 0.00 3.31 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 4 G 8.90 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.34 4.34 0.00 3.68 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 6 K 8.43 4.88 0.00 1.60 1.64 0.00 1.55 0.00 0.00 1.73 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.33 7.81 7 V 8.85 4.83 1.93 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 0.58 0.00 0.00 0.77 0.00 0.00 8 K 8.82 4.87 0.00 1.74 1.59 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.68 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.24 1.32 7.81 9 I 8.58 4.15 2.13 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 1.56 0.90 1.14 0.00 0.00 10 L 9.09 4.76 0.00 1.60 1.78 0.95 0.86 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 11 R 8.25 4.24 0.00 2.13 2.21 0.00 3.36 0.00 0.00 3.36 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.82 0.00 12 P 0.00 3.44 0.00 1.94 1.78 0.00 3.75 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 13 E 8.01 4.25 0.00 2.06 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 2.28 2.22 0.00 14 S 8.06 4.50 0.00 4.21 4.22 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 0.00 0.00 0.00 15 Y 8.52 3.69 0.00 2.30 1.47 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 0.00 0.00 0.00 0.00 16 W 8.14 4.71 0.00 3.17 2.77 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 0.00 0.00 0.00 0.00 17 Y 7.53 4.35 0.00 3.17 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 N 7.88 3.99 0.00 2.76 2.83 0.00 0.00 6.94 7.81 0.00 0.00 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 E 8.27 4.65 0.00 2.23 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 2.28 2.45 0.00 20 V 8.38 4.86 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 0.80 0.00 0.00 0.90 0.00 0.00 21 G 9.11 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.79 5.03 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 1.08 0.00 0.00 23 V 8.57 3.97 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.89 0.00 0.00 24 A 9.49 4.49 1.25 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 0.00 0.00 25 S 6.97 4.80 0.00 4.07 4.02 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 26 V 7.84 4.76 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 0.84 0.00 0.00 0.93 0.00 0.00 27 D 8.62 4.60 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.53 4.39 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.62 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 29 T 8.03 3.83 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 1.21 0.00 0.00 30 P 0.00 4.24 0.00 2.03 1.98 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 31 G 8.85 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 32 V 7.04 3.60 2.20 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 0.82 0.00 0.00 1.06 0.00 0.00 33 K 8.71 3.89 0.00 1.61 1.26 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.44 7.81 34 Y 7.40 4.67 0.00 2.94 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 35 P 0.00 4.42 0.00 2.22 2.49 0.00 3.68 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 2.08 2.24 0.00 36 V 8.17 3.82 2.33 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 0.85 0.00 0.00 1.03 0.00 0.00 37 I 8.72 4.74 1.99 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 1.38 0.97 0.92 0.00 0.00 38 V 8.83 4.51 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 0.03 0.00 0.00 0.83 0.00 0.00 39 R 8.01 4.93 0.00 1.78 1.52 0.00 3.03 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.64 0.00 40 F 8.96 4.99 0.00 2.30 2.54 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 41 D 9.08 4.55 0.00 2.77 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 42 K 8.03 4.80 0.00 2.00 1.93 0.00 1.75 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.68 1.92 7.81 43 V 8.29 4.35 2.31 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 0.81 0.00 0.00 0.91 0.00 0.00 44 N 7.76 3.14 0.00 1.44 1.42 0.00 0.00 6.96 6.84 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 45 Y 7.39 4.39 0.00 2.91 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 46 T 7.59 3.80 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 1.23 0.00 0.00 47 G 8.39 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 0.00 0.00 0.00 0.00 48 Y 8.03 4.24 0.00 2.99 2.87 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 49 S 7.55 3.93 0.00 3.49 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 50 G 8.87 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 51 S 7.98 4.25 0.00 3.99 3.84 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 52 A 8.08 4.76 1.28 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 0.00 0.00 53 S 7.61 4.55 0.00 4.14 3.80 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 54 G 9.39 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 55 V 8.40 3.26 2.32 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 1.16 0.00 0.00 0.97 0.00 0.00 56 N 8.55 5.41 0.00 3.16 3.10 0.00 0.00 5.53 7.22 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 57 T 8.03 5.19 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 1.26 0.00 0.00 58 N 9.31 5.06 0.00 3.10 2.75 0.00 0.00 6.89 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.35 5.61 0.00 2.61 3.00 0.00 0.00 6.69 7.45 0.00 0.00 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 F 9.55 5.21 0.00 2.95 3.15 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 0.00 0.00 0.00 61 A 9.41 4.84 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.75 3.96 0.00 1.76 1.77 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.32 4.59 0.00 3.32 3.45 0.00 5.51 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.46 4.61 0.00 2.28 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 2.30 2.09 0.00 65 V 7.65 4.82 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 0.44 0.00 0.00 1.02 0.00 0.00 66 Q 8.45 4.35 0.00 2.07 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.99 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 67 E 8.96 4.11 0.00 1.99 1.81 0.00 0.00 0.00 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 2.31 0.00 68 V 8.60 4.28 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 0.72 0.00 0.00 0.93 0.00 0.00 69 A 7.88 4.12 1.22 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 0.00 0.00 0.00 0.00 0.00