NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3046 8.1744 110.9443 61.3502 70.5756 173.3824 6 N 4.6210 8.0444 119.8269 53.2997 38.8465 173.3491 7 S 4.4604 8.6570 113.5820 57.8492 64.7364 173.1415 8 D 4.8412 8.6504 121.7645 55.0540 41.8556 175.3744 9 F 5.3598 8.0116 114.2860 55.5021 41.6856 173.8886 10 V 4.5758 8.9767 111.9327 59.5157 35.5412 174.9231 11 V 4.8514 8.6665 123.8214 61.3076 33.9303 174.4053 12 I 4.9006 9.1271 128.3735 59.4333 40.6546 174.1214 13 K 4.9242 9.0955 129.3047 54.2396 34.2408 175.1324 14 A 4.3442 8.7866 130.7347 52.4238 18.9469 177.4296 15 L 4.6022 8.8690 122.7115 55.0096 42.4414 176.1562 16 E 4.6950 7.7249 115.6617 54.5424 32.6190 174.4105 17 D 4.4425 8.3511 119.1295 55.7214 41.2893 176.8299 18 G 3.8471 8.4769 109.6443 45.9084 0.0000 173.8259 19 V 3.9015 7.6074 119.8733 62.7765 32.7851 174.4888 20 N 5.3011 9.0136 125.0492 51.4940 41.3123 173.6174 21 V 4.5474 8.7672 124.6725 61.3507 33.5715 174.2510 22 I 4.7334 8.7110 129.7598 59.3647 39.9725 174.8624 23 G 4.1994 8.7737 114.7071 44.9300 0.0000 172.3670 24 L 5.5679 8.8953 125.8158 52.9381 44.0912 176.2547 25 T 4.3453 8.8408 114.8763 61.8088 69.2062 174.2164 26 R 4.1871 7.9235 126.4941 56.6315 29.6447 175.4398 27 G 3.7544 8.8515 110.0276 43.9511 0.0000 173.8226 28 A 4.1726 8.5982 121.6733 54.2279 18.6078 177.7155 29 D 5.0063 7.2739 112.5425 52.8204 43.3111 175.9182 30 T 4.7676 8.2800 117.8874 61.9567 71.2872 173.3057 31 R 4.5512 8.6854 121.9095 54.4888 33.8557 174.0081 32 F 5.3164 8.4516 118.8650 57.8426 38.9220 175.3854 33 H 4.9552 9.3036 119.3997 56.4549 30.3703 174.3445 34 H 4.8223 7.6991 117.4141 54.9581 33.3357 171.9536 35 S 4.8187 8.2795 119.0857 56.4282 64.6971 172.3623 36 E 4.4325 9.1461 129.4760 54.6766 30.9987 174.4107 37 K 4.8385 8.5960 128.7625 55.4815 33.6949 175.4223 38 L 5.0002 9.1840 127.2902 53.1903 44.8959 175.9164 39 D 5.1096 9.2108 123.0822 52.2401 43.5958 175.9400 40 K 4.2006 8.8227 121.9734 58.3912 32.3496 176.5018 41 G 4.0580 9.2020 115.3411 45.2839 0.0000 173.7350 42 E 4.2173 7.9848 119.2256 56.3216 30.7796 176.1886 43 V 4.9228 8.2892 122.0915 61.0158 34.3205 174.1861 44 L 4.7634 8.9803 129.8030 53.2429 44.8309 174.8726 45 I 5.0847 8.4638 126.1078 59.6009 39.4318 174.6881 46 A 4.6987 9.0670 129.3450 50.1094 21.9229 175.4227 47 Q 4.7870 8.6654 121.1233 55.1205 30.3293 175.7907 48 F 4.7366 8.5754 120.2702 57.8983 38.5379 175.1359 49 T 4.7265 9.3493 111.4675 59.9418 72.0647 174.0414 50 E 4.1399 8.9614 121.5470 59.5101 29.5827 177.3469 51 H 4.5209 7.8501 113.4119 56.4428 29.7969 174.6098 52 T 5.1516 8.0717 116.5595 62.0614 69.7307 173.9350 53 S 4.9586 8.6080 120.5110 57.9426 64.6393 173.4091 54 A 4.9887 7.8517 120.9627 51.3586 22.4923 175.3975 55 I 5.0285 8.5570 120.8102 59.4187 40.8365 174.6074 56 K 4.5691 9.0020 128.4405 54.5052 34.6165 174.7164 57 V 4.7753 8.3630 126.5444 61.0311 33.8752 174.2772 58 R 4.4595 9.0947 128.4628 55.5804 32.6005 175.2888 59 G 4.0929 9.0326 111.6514 43.9979 0.0000 172.4251 60 K 4.5235 9.4574 120.7622 56.1808 32.9850 175.5958 61 A 5.0910 8.9790 128.3797 50.8411 23.3834 173.7041 62 Y 4.9241 8.9789 121.8222 56.1876 40.8850 174.5592 63 I 5.0713 8.3241 126.9837 59.5688 41.0793 174.2719 64 Q 5.1093 9.0839 125.7618 54.3601 31.6248 174.9023 65 T 4.9041 8.6135 113.0077 59.3976 72.4498 174.5872 66 R 3.6694 8.5574 120.7008 59.3775 29.8319 176.4044 67 H 4.7230 7.8036 112.6874 55.1099 29.6073 173.8829 68 G 3.8489 7.6035 105.9135 44.1502 0.0000 173.1780 69 V 4.5987 8.0252 113.2476 60.2329 33.6524 175.4147 70 I 4.5580 8.2046 122.2458 59.8159 42.0264 173.1241 71 E 5.1487 8.5153 125.2363 54.4772 32.5518 175.7768 72 S 4.6337 8.8395 119.0989 57.7326 65.1004 172.9144 73 E 5.0136 8.7809 120.6043 54.5120 32.5953 176.3460 74 G 3.7157 8.5756 110.4358 45.7352 0.0000 173.1648 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 4.30 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 1.23 0.00 0.00 6 N 8.04 4.62 0.00 2.79 2.86 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 8.66 4.46 0.00 4.14 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 8.65 4.84 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 9 F 8.01 5.36 0.00 3.02 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 8.98 4.58 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 0.56 0.00 0.00 0.88 0.00 0.00 11 V 8.67 4.85 2.17 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 1.19 0.00 0.00 1.18 0.00 0.00 12 I 9.13 4.90 1.88 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 1.10 0.68 0.92 0.00 0.00 13 K 9.10 4.92 0.00 1.87 1.76 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.37 7.81 14 A 8.79 4.34 1.33 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 15 L 8.87 4.60 0.00 1.68 1.73 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.72 4.70 0.00 2.01 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 2.18 2.33 0.00 17 D 8.35 4.44 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 8.48 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.61 3.90 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 0.98 0.00 0.00 1.04 0.00 0.00 20 N 9.01 5.30 0.00 2.58 2.59 0.00 0.00 6.24 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 21 V 8.77 4.55 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 0.87 0.00 0.00 0.90 0.00 0.00 22 I 8.71 4.73 1.44 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.44 0.13 0.00 0.00 23 G 8.77 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.90 5.57 0.00 1.91 1.73 1.02 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.84 4.35 4.30 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 1.36 0.00 0.00 26 R 7.92 4.19 0.00 1.90 1.99 0.00 3.22 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 1.64 1.44 0.00 27 G 8.85 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 0.00 0.00 0.00 28 A 8.60 4.17 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 29 D 7.27 5.01 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 30 T 8.28 4.77 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 31 R 8.69 4.55 0.00 1.82 1.89 0.00 2.77 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 32 F 8.45 5.32 0.00 2.93 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 33 H 9.30 4.96 0.00 3.12 3.50 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 7.70 4.82 0.00 3.28 3.06 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.28 4.82 0.00 3.75 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 9.15 4.43 0.00 2.15 1.79 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 2.25 2.28 0.00 37 K 8.60 4.84 0.00 1.77 1.67 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.44 7.81 38 L 9.18 5.00 0.00 1.55 1.51 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.21 5.11 0.00 2.57 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 40 K 8.82 4.20 0.00 1.68 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.40 7.81 41 G 9.20 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 0.00 0.00 0.00 42 E 7.98 4.22 0.00 2.01 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 2.32 2.42 0.00 43 V 8.29 4.92 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 0.85 0.00 0.00 0.94 0.00 0.00 44 L 8.98 4.76 0.00 1.76 1.46 0.91 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.46 5.08 1.77 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 1.30 0.80 0.73 0.00 0.00 46 A 9.07 4.70 1.12 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 0.00 0.00 47 Q 8.67 4.79 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 48 F 8.58 4.74 0.00 3.05 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 49 T 9.35 4.73 4.30 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 1.26 0.00 0.00 50 E 8.96 4.14 0.00 1.92 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 2.13 2.26 0.00 51 H 7.85 4.52 0.00 3.27 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 8.07 5.15 4.37 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 1.36 0.00 0.00 53 S 8.61 4.96 0.00 3.80 4.09 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 54 A 7.85 4.99 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 55 I 8.56 5.03 1.86 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 1.17 0.74 0.84 0.00 0.00 56 K 9.00 4.57 0.00 1.72 1.40 0.00 1.62 0.00 0.00 1.38 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.27 1.34 7.81 57 V 8.36 4.78 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 0.82 0.00 0.00 0.90 0.00 0.00 58 R 9.09 4.46 0.00 1.81 1.68 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 59 G 9.03 4.09 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 0.00 0.00 0.00 60 K 9.46 4.52 0.00 1.82 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 8.98 5.09 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 8.98 4.92 0.00 3.04 2.81 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 63 I 8.32 5.07 1.93 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 1.22 0.57 0.86 0.00 0.00 64 Q 9.08 5.11 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 65 T 8.61 4.90 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 1.17 0.00 0.00 66 R 8.56 3.67 0.00 1.57 1.76 0.00 3.24 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 67 H 7.80 4.72 0.00 3.16 3.26 0.00 5.69 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 7.60 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.03 4.60 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.82 0.00 0.00 70 I 8.20 4.56 1.81 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 1.19 1.32 0.85 0.00 0.00 71 E 8.52 5.15 0.00 1.83 1.82 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 2.41 2.14 0.00 72 S 8.84 4.63 0.00 3.95 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 73 E 8.78 5.01 0.00 1.84 1.87 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 2.19 2.27 0.00 74 G 8.58 3.72 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 0.00 0.00 0.00