NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3517 8.1744 110.9433 61.2221 70.6282 173.5347 6 N 4.7760 7.8897 120.4987 53.1053 39.3404 173.0745 7 S 4.5324 8.8040 113.4434 57.4070 64.9501 173.2874 8 D 4.7968 8.5834 121.2520 54.7379 41.7402 175.5795 9 F 5.4212 8.1028 114.8230 55.3036 41.5519 174.0872 10 V 4.5777 8.8651 112.3787 59.5545 35.2361 174.8453 11 V 4.8322 8.7406 123.3886 61.3022 34.0911 174.4552 12 I 4.9320 8.9950 128.3146 59.4267 40.8239 174.0422 13 K 5.0701 9.1060 129.0691 54.2155 34.5203 175.0809 14 A 4.4456 8.8360 130.3362 52.3452 19.0523 177.4886 15 L 4.6854 9.0836 122.3018 54.7496 42.6962 175.8732 16 E 4.6908 7.7696 115.5697 54.5911 32.6768 174.3277 17 D 4.4752 8.3434 118.8689 55.6064 41.3125 176.8874 18 G 3.8672 8.2455 109.7777 45.7501 0.0000 173.8877 19 V 3.9028 7.6321 119.8974 62.8282 32.8753 174.5117 20 N 5.3081 9.2084 125.1303 51.4609 41.4108 173.6653 21 V 4.5267 8.7906 124.6079 61.3942 33.6383 174.1823 22 I 4.4482 8.6368 130.5899 59.3670 39.2631 175.2966 23 G 3.9999 8.6549 115.7628 45.5025 0.0000 172.4776 24 L 5.4374 9.0541 126.5027 53.4040 43.9474 176.3370 25 T 4.5865 8.7897 114.1287 61.5438 69.3988 174.4344 26 R 4.1629 7.9752 126.1118 57.1238 30.8944 174.9040 27 G 3.7686 8.8175 109.1343 44.1643 0.0000 172.9983 28 A 4.0543 8.6854 121.1676 54.6174 18.6377 177.8364 29 D 4.6244 7.8974 114.6682 53.4812 42.2538 175.5294 30 T 4.7186 8.4128 123.1981 62.0374 69.9583 173.3860 31 R 4.7845 8.7395 122.4308 54.2610 33.8057 174.2527 32 F 5.2282 8.8225 118.8704 58.0021 39.0293 175.2280 33 H 5.0109 8.7984 117.8264 56.2150 30.7768 173.8915 34 H 4.7332 7.6310 117.7163 54.9366 33.3490 171.9309 35 S 4.7211 8.2990 120.0277 56.4115 64.4386 172.3830 36 E 4.4296 9.1035 129.7214 54.8867 30.9322 174.6763 37 K 4.9146 8.5919 126.7721 55.2683 33.8228 175.9132 38 L 4.9519 9.0729 125.1429 53.1007 44.6992 176.0668 39 D 5.0337 9.2296 123.4957 52.4739 43.2238 175.9828 40 K 4.0952 8.7107 121.8762 58.4472 32.4498 176.5060 41 G 4.1038 9.1387 114.9751 45.3765 0.0000 173.8455 42 E 4.1974 8.1128 119.1144 56.3645 30.7670 176.2356 43 V 4.9303 8.3066 122.2925 61.0435 34.0764 174.1837 44 L 4.7660 9.0641 130.0780 53.2681 44.7578 174.9075 45 I 5.0574 8.3879 125.7004 59.5420 39.7389 174.6632 46 A 4.6753 8.9298 129.0155 50.0784 21.8764 175.4722 47 Q 4.7664 8.6826 121.2757 55.3053 30.1588 175.9207 48 F 4.5745 8.6678 120.6170 57.9536 39.8540 175.1636 49 T 4.6870 8.7371 111.4039 60.0859 72.0053 173.0384 50 E 4.0079 9.0104 121.3662 59.7729 29.4862 177.6497 51 H 4.4903 8.1175 114.0777 56.8816 29.6684 174.3356 52 T 5.5405 8.3827 116.5456 61.0431 70.5408 174.5509 53 S 5.0369 9.0719 119.9907 58.0808 65.1764 173.3371 54 A 5.0615 7.9765 121.6492 50.8676 22.7877 174.9581 55 I 4.9519 8.5387 120.3263 59.3498 40.5769 174.7076 56 K 4.5546 9.0357 128.6613 54.5586 34.5100 174.7280 57 V 4.7893 8.4219 126.9478 61.2724 33.4264 174.5290 58 R 4.5414 8.8562 127.3969 55.4083 32.5993 176.0692 59 G 4.0047 9.0166 109.2317 43.9314 0.0000 172.5544 60 K 4.5407 9.3876 120.7600 56.0759 32.9707 175.5883 61 A 5.1093 8.8032 127.9429 50.8274 23.4003 173.6299 62 Y 5.0352 9.1886 121.6580 56.0386 41.1381 174.5671 63 I 4.8726 8.4509 127.1212 59.5172 40.8177 174.2436 64 Q 4.9711 8.7910 126.1870 54.3219 31.5407 174.9481 65 T 4.6693 8.6248 112.9512 59.5280 72.4965 174.5619 66 R 3.7535 8.5643 120.7097 59.5121 29.8320 176.5168 67 H 4.6882 8.5399 112.4454 55.4975 29.6164 174.9811 68 G 3.7106 6.6024 106.7830 44.2761 0.0000 172.9384 69 V 4.8081 7.7681 113.2974 59.9759 34.9043 175.1337 70 I 4.4416 8.1828 120.9680 60.2154 41.8598 172.7599 71 E 5.3044 8.6951 126.9288 54.6102 31.7239 176.0136 72 S 4.5970 8.7782 118.9296 58.0673 65.0014 172.8994 73 E 4.9028 8.5463 119.8726 54.3617 33.0606 176.2120 74 G 3.7266 8.6703 110.6523 45.9384 0.0000 173.4857 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 5 T 8.17 4.35 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 6 N 7.89 4.78 0.00 2.79 2.84 0.00 0.00 7.11 6.75 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 7 S 8.80 4.53 0.00 4.09 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 8 D 8.58 4.80 0.00 2.78 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 9 F 8.10 5.42 0.00 2.93 2.96 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 0.00 0.00 0.00 10 V 8.87 4.58 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 0.55 0.00 0.00 0.88 0.00 0.00 11 V 8.74 4.83 2.13 0.00 0.00 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 1.16 0.00 0.00 12 I 9.00 4.93 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.56 0.91 0.00 0.00 13 K 9.11 5.07 0.00 1.91 1.84 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.39 7.81 14 A 8.84 4.45 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 15 L 9.08 4.69 0.00 1.62 1.72 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.77 4.69 0.00 2.02 1.89 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 2.18 2.33 0.00 17 D 8.34 4.48 0.00 2.69 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 18 G 8.25 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 19 V 7.63 3.90 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 0.82 0.00 0.00 1.01 0.00 0.00 20 N 9.21 5.31 0.00 2.60 2.60 0.00 0.00 6.26 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.79 4.53 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 0.84 0.00 0.00 0.89 0.00 0.00 22 I 8.64 4.45 1.55 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.37 -0.78 0.00 0.00 23 G 8.65 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 0.00 0.00 0.00 24 L 9.05 5.44 0.00 1.85 1.70 1.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.79 4.59 4.32 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 1.34 0.00 0.00 26 R 7.98 4.16 0.00 1.90 2.01 0.00 3.19 0.00 0.00 3.08 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.45 0.00 27 G 8.82 3.77 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 0.00 0.00 0.00 28 A 8.69 4.05 1.30 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 0.00 0.00 29 D 7.90 4.62 0.00 2.64 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.41 4.72 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 1.28 0.00 0.00 31 R 8.74 4.78 0.00 1.87 1.99 0.00 2.80 0.00 0.00 3.42 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 32 F 8.82 5.23 0.00 2.86 2.97 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 33 H 8.80 5.01 0.00 3.14 3.47 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.63 4.73 0.00 3.28 3.05 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.30 4.72 0.00 3.65 3.58 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 36 E 9.10 4.43 0.00 2.17 1.78 0.00 0.00 0.00 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 2.32 0.00 37 K 8.59 4.91 0.00 1.64 1.71 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.11 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.37 1.48 7.81 38 L 9.07 4.95 0.00 1.50 1.53 0.92 0.91 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 39 D 9.23 5.03 0.00 2.58 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.71 4.10 0.00 1.69 1.74 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.31 7.81 41 G 9.14 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 42 E 8.11 4.20 0.00 2.06 1.88 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 2.33 2.34 0.00 43 V 8.31 4.93 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 0.80 0.00 0.00 0.96 0.00 0.00 44 L 9.06 4.77 0.00 1.73 1.45 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.39 5.06 1.74 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.78 0.64 0.00 0.00 46 A 8.93 4.68 1.11 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 0.00 0.00 47 Q 8.68 4.77 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 48 F 8.67 4.57 0.00 3.00 2.99 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 49 T 8.74 4.69 4.29 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 1.27 0.00 0.00 50 E 9.01 4.01 0.00 1.91 1.92 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 2.11 2.30 0.00 51 H 8.12 4.49 0.00 3.24 3.19 0.00 5.80 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.38 5.54 4.34 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 1.30 0.00 0.00 53 S 9.07 5.04 0.00 3.85 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 54 A 7.98 5.06 1.31 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 0.00 0.00 0.00 55 I 8.54 4.95 1.81 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.62 0.82 0.00 0.00 56 K 9.04 4.55 0.00 1.82 1.57 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.38 7.81 57 V 8.42 4.79 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 0.86 0.00 0.00 0.90 0.00 0.00 58 R 8.86 4.54 0.00 1.78 1.80 0.00 3.20 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 59 G 9.02 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 0.00 0.00 0.00 60 K 9.39 4.54 0.00 1.94 1.72 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.80 5.11 1.26 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 0.00 0.00 0.00 62 Y 9.19 5.04 0.00 3.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.45 4.87 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 1.17 0.51 0.82 0.00 0.00 64 Q 8.79 4.97 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 65 T 8.62 4.67 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 66 R 8.56 3.75 0.00 1.58 1.72 0.00 3.33 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 67 H 8.54 4.69 0.00 3.18 3.28 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.60 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 69 V 7.77 4.81 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 0.70 0.00 0.00 0.99 0.00 0.00 70 I 8.18 4.44 1.83 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 1.22 0.76 0.85 0.00 0.00 71 E 8.70 5.30 0.00 1.92 1.89 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 2.53 2.47 0.00 72 S 8.78 4.60 0.00 3.92 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 73 E 8.55 4.90 0.00 1.83 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 2.21 2.29 0.00 74 G 8.67 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