NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3247 8.2649 123.5863 51.8976 19.5505 176.1628 3 R 4.1429 8.4199 122.8529 55.2244 31.2983 175.8996 4 K 3.8733 9.3907 124.9084 59.8816 32.8517 178.3203 5 A 4.0974 8.1097 118.4605 54.3881 18.6229 178.2254 6 L 4.6440 8.7025 116.8826 55.0171 42.8616 177.7996 7 I 4.1704 7.8000 118.7195 61.6918 37.4063 176.9265 8 E 4.1365 8.1315 119.2643 57.7261 29.4921 178.3876 9 K 3.6556 7.9210 121.6687 59.6520 32.4055 177.9108 10 A 4.1384 7.5798 117.1433 52.6592 17.5379 178.4252 11 K 4.2241 8.1043 122.7311 56.6198 30.0733 177.5199 12 R 3.9198 8.2808 123.9493 58.1239 30.3703 177.3049 13 T 4.4102 7.1980 108.6226 59.2413 67.7250 172.1100 14 P 4.3606 0.0000 0.0000 64.0661 32.5057 176.0725 15 K 4.0644 9.2864 118.7371 56.0911 31.0778 176.3363 16 F 4.8685 7.5162 115.5223 55.4248 42.6750 175.1759 17 K 4.0511 8.9353 126.2319 58.7941 32.3227 178.2952 18 V 3.8108 7.7979 112.4888 64.9691 31.6588 178.5243 19 R 3.9452 8.3039 117.4237 59.0293 30.1497 177.2454 20 A 4.0808 7.6733 121.4217 52.3266 18.6824 176.3017 21 Y 4.9401 7.6663 120.1055 55.0644 41.2525 175.1529 22 T 4.1802 8.5085 116.1479 62.2630 68.2795 173.5484 23 R 4.8774 8.0770 125.1005 54.5609 33.3696 174.2014 24 C 4.3632 9.0446 123.9012 59.8882 31.9922 175.0244 25 V 3.9967 8.3651 125.3968 62.9525 31.7550 176.9489 26 R 4.3936 7.9434 119.2439 57.0176 30.7577 176.0038 27 C 4.6838 7.8159 107.8270 56.9177 31.3015 174.7953 28 G 3.8749 8.0261 107.8130 45.0000 0.0000 173.1816 29 R 3.7837 8.0124 119.7183 56.6937 29.9717 176.5730 30 A 4.2385 8.7289 129.1158 54.5741 18.8280 177.5911 31 R 4.3997 7.7678 113.1504 55.9574 32.1235 175.7815 32 S 3.6869 8.4314 112.5229 59.6785 60.5214 172.4487 33 V 4.8342 7.5968 112.3567 59.6580 33.2418 176.1360 34 Y 4.2235 9.1435 123.9137 57.9062 38.3456 177.1321 35 R 3.9579 8.8281 124.2264 59.4780 30.4990 178.6978 36 F 3.7875 8.4037 118.4779 60.5546 39.1333 175.6110 37 F 4.8231 8.2628 116.3109 55.9668 41.0113 176.5892 38 G 4.0680 8.5644 108.4282 45.8616 0.0000 173.0720 39 L 5.0178 7.5834 119.5830 52.7695 43.8645 176.0098 40 C 4.9585 8.2734 116.1052 57.2515 31.1506 174.6550 41 R 3.7627 8.7683 118.5391 59.5142 28.4767 179.1885 42 I 3.8581 7.5918 119.9195 64.3738 37.4368 177.6325 43 C 4.0471 7.9504 116.9526 62.6898 28.0100 175.5124 44 L 3.5729 8.0061 122.2444 58.1709 41.2589 178.9371 45 R 3.6904 7.0096 115.3706 59.6630 30.4355 177.8639 46 E 4.0989 8.2101 118.1145 59.5565 29.5853 179.2614 47 L 3.9463 8.1801 118.5229 57.9449 41.5493 179.4189 48 A 3.9278 7.5579 119.4323 55.7129 18.2460 179.1597 49 H 4.3175 7.7116 113.3545 58.9480 28.8733 177.9926 50 K 4.1725 7.8612 118.9516 57.6346 32.2195 178.1090 51 G 3.9823 8.0318 106.8667 45.3719 0.0000 174.4182 52 Q 4.1015 7.8033 116.4256 56.3162 28.8710 175.6765 53 L 4.6358 7.1755 118.6683 51.9934 42.4783 174.5715 54 P 4.1471 0.0000 0.0000 64.1211 31.7587 178.6736 55 G 4.0166 9.0097 113.4302 46.6573 0.0000 174.5234 56 V 3.6167 8.0600 118.8297 63.5729 31.7750 174.8358 57 R 4.4949 7.9901 124.7239 54.8705 33.0611 174.3081 58 K 4.1445 8.4284 119.6686 55.5374 31.3633 176.9002 59 A 4.3671 8.4497 127.8217 51.6895 19.2075 176.7861 60 S 4.6348 8.6889 117.2576 56.8004 65.2584 173.7799 61 W 4.8351 8.3168 124.0457 56.7840 28.0736 174.7534 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 2 A 8.26 4.32 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 3 R 8.42 4.14 0.00 1.99 1.88 0.00 3.19 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 4 K 9.39 3.87 0.00 1.80 1.92 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.57 7.81 5 A 8.11 4.10 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 6 L 8.70 4.64 0.00 1.81 1.80 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.80 4.17 1.89 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 1.62 0.66 0.93 0.00 0.00 8 E 8.13 4.14 0.00 2.23 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 0.00 2.54 2.48 0.00 9 K 7.92 3.66 0.00 1.52 1.73 0.00 1.51 0.00 0.00 1.47 0.00 0.00 2.64 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.64 0.94 7.81 10 A 7.58 4.14 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 11 K 8.10 4.22 0.00 1.94 1.69 0.00 1.54 0.00 0.00 1.62 0.00 0.00 3.14 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.49 7.81 12 R 8.28 3.92 0.00 1.81 1.99 0.00 3.36 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 13 T 7.20 4.41 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 1.17 0.00 0.00 14 P 0.00 4.36 0.00 2.37 2.21 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 15 K 9.29 4.06 0.00 1.67 1.48 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.76 1.19 7.81 16 F 7.52 4.87 0.00 3.13 2.86 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 0.00 17 K 8.94 4.05 0.00 1.75 1.89 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.49 7.81 18 V 7.80 3.81 2.11 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 0.83 0.00 0.00 0.98 0.00 0.00 19 R 8.30 3.95 0.00 1.94 2.18 0.00 3.68 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.84 0.00 20 A 7.67 4.08 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 21 Y 7.67 4.94 0.00 3.02 2.90 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 22 T 8.51 4.18 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 1.30 0.00 0.00 23 R 8.08 4.88 0.00 1.94 1.78 0.00 3.38 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 24 C 9.04 4.36 0.00 3.13 2.93 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 25 V 8.37 4.00 2.12 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 0.81 0.00 0.00 0.95 0.00 0.00 26 R 7.94 4.39 0.00 1.78 2.00 0.00 3.23 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 27 C 7.82 4.68 0.00 3.06 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 28 G 8.03 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 29 R 8.01 3.78 0.00 1.93 1.93 0.00 3.26 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.98 0.00 30 A 8.73 4.24 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 31 R 7.77 4.40 0.00 1.82 1.88 0.00 3.37 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 32 S 8.43 3.69 0.00 4.06 3.94 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 33 V 7.60 4.83 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.02 0.00 0.00 34 Y 9.14 4.22 0.00 3.36 3.20 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 35 R 8.83 3.96 0.00 1.95 2.02 0.00 3.17 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.64 0.00 36 F 8.40 3.79 0.00 2.98 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 37 F 8.26 4.82 0.00 3.26 3.04 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 0.00 0.00 0.00 38 G 8.56 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 39 L 7.58 5.02 0.00 1.73 1.54 0.85 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.27 4.96 0.00 3.16 3.10 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 41 R 8.77 3.76 0.00 2.10 2.56 0.00 2.80 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 42 I 7.59 3.86 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.60 0.90 0.00 0.00 43 C 7.95 4.05 0.00 2.93 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 44 L 8.01 3.57 0.00 1.33 1.47 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.01 3.69 0.00 1.96 2.13 0.00 3.32 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 46 E 8.21 4.10 0.00 2.12 1.97 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 2.33 2.53 0.00 47 L 8.18 3.95 0.00 1.59 1.69 0.91 1.09 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 48 A 7.56 3.93 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.71 4.32 0.00 3.41 3.34 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.86 4.17 0.00 1.83 1.88 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.65 7.81 51 G 8.03 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 52 Q 7.80 4.10 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.72 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 53 L 7.18 4.64 0.00 1.74 1.72 0.42 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.15 0.00 2.26 2.06 0.00 3.88 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.16 0.00 55 G 9.01 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 0.00 0.00 0.00 56 V 8.06 3.62 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 0.71 0.00 0.00 1.29 0.00 0.00 57 R 7.99 4.49 0.00 1.90 1.76 0.00 3.30 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 58 K 8.43 4.14 0.00 1.81 1.80 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.40 7.81 59 A 8.45 4.37 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.69 4.63 0.00 3.83 3.78 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 0.00 0.00 0.00 61 W 8.32 4.84 0.00 3.38 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