NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.2821 8.4293 121.4702 55.5161 30.5433 175.2464 5 P 4.3579 0.0000 0.0000 61.7081 33.8427 175.6530 6 C 4.4569 8.0690 121.6854 58.4563 31.2940 176.2102 7 V 3.7725 7.3926 122.4230 64.6119 31.5720 178.0214 8 E 3.9792 8.2083 119.4595 59.2247 29.0031 179.0995 9 S 4.1302 7.7051 113.4764 61.2104 63.1623 176.0151 10 L 4.1291 7.7461 123.5422 57.6883 41.8064 178.8833 11 V 3.3335 7.9015 118.6751 65.8448 31.4825 178.2370 12 S 4.0121 7.8717 113.6357 61.0035 62.5290 176.4481 13 Q 3.9443 7.2931 121.4100 59.1968 28.6817 178.0544 14 Y 4.3765 7.7233 117.5578 59.4266 38.1954 177.3158 15 F 4.1167 7.4081 123.3551 61.1798 39.3448 177.1192 16 Q 4.0249 8.2441 117.8680 58.9935 28.5575 178.6445 17 T 4.2037 7.4891 117.0135 65.9685 68.0993 176.8056 18 V 3.4318 7.3381 120.5311 66.1348 31.6075 178.1883 19 T 3.6544 7.3250 114.8032 65.9105 68.2636 176.6487 20 D 4.2942 8.0169 121.6837 57.5297 40.9488 178.3869 21 Y 4.5794 7.1534 118.6984 59.1157 37.9396 178.2861 22 G 3.5129 6.9605 108.0092 47.3755 0.0000 176.0471 23 K 3.9888 7.7571 120.5034 59.5333 31.6012 179.2325 24 D 4.6710 7.9512 120.1779 56.5477 40.8185 178.6241 25 L 4.0389 7.8946 121.1734 58.4693 42.0491 178.9801 26 M 4.1999 8.1057 118.6404 58.3229 31.2961 178.6275 27 E 3.9844 8.0757 118.7684 59.0824 29.4472 178.9502 28 K 4.1737 7.8455 116.6578 57.9552 31.9034 178.3765 29 V 4.0815 7.1400 117.4857 64.5240 31.9574 177.7652 30 K 4.3038 8.5448 120.1301 58.5903 31.8107 179.5589 31 S 4.0045 7.8393 114.7807 61.2161 63.0837 174.9442 32 P 4.2580 0.0000 0.0000 64.8299 30.5449 178.3344 33 E 3.9072 7.8864 116.6437 58.8989 29.1547 178.6114 34 L 4.2255 7.2881 116.1261 55.3324 42.4829 177.0261 35 Q 4.3522 7.9557 117.3885 56.7489 30.0237 175.7620 36 A 4.6774 7.6553 124.7154 49.6975 19.3667 173.7341 37 E 4.4047 7.3088 126.2097 56.3941 36.5929 177.1606 38 A 4.0868 8.3246 123.4976 54.6117 20.3611 179.4124 39 K 4.1771 7.5517 115.7973 55.3615 31.1195 178.1166 40 S 4.2800 7.4507 115.2112 61.0073 62.9575 174.3883 41 Y 4.8184 7.7682 115.5338 58.5239 37.4536 176.5773 42 F 4.5313 8.4252 120.8655 60.0502 39.6269 177.7712 43 E 3.8904 8.1530 118.2935 58.9015 29.2838 178.1743 44 K 4.2121 8.0852 120.3803 58.9648 32.2388 178.8667 45 S 4.3849 8.1545 114.0616 61.5491 62.9689 176.5520 46 K 4.0929 7.7463 121.7210 58.8090 31.3208 178.3286 47 E 4.3150 8.1750 116.9403 57.2806 29.1987 177.9216 48 Q 4.5055 7.3324 118.1305 56.4776 30.8194 177.2663 49 L 4.2295 7.9863 119.8934 57.5430 41.9693 179.4128 50 T 3.9113 7.8844 115.9616 66.1027 68.6867 174.8380 51 P 4.4523 0.0000 0.0000 64.5927 31.2263 177.9454 52 L 3.9627 7.2309 119.3936 58.3167 42.0785 178.4183 53 I 3.9547 7.6183 119.3019 64.0565 37.3222 177.7416 54 K 4.2246 7.9324 117.1096 57.4770 32.0394 178.7999 55 K 4.0251 7.8905 120.2573 58.7744 31.9942 178.2205 56 A 4.1181 7.8108 121.0105 54.7133 17.9354 179.7028 57 G 3.4832 7.7843 104.1626 47.2721 0.0000 174.8906 58 T 4.5747 7.3063 112.9153 61.4082 67.6880 173.4333 59 E 3.9746 7.4610 117.0097 57.4228 33.1166 177.6186 60 L 3.8258 7.3853 117.1566 57.8620 42.1643 179.7369 61 V 3.5729 7.8216 118.3242 66.0868 31.1622 177.8267 62 N 4.3031 7.7112 115.7255 56.0121 38.2783 177.3467 63 F 4.3037 7.2708 119.5086 60.4799 38.8069 177.7444 64 L 4.0969 7.6388 117.4081 57.9333 41.8015 179.3015 65 S 4.2482 8.0450 113.0927 61.3682 62.3481 175.5766 66 Y 4.5686 7.5773 123.9132 60.0084 38.4019 177.6143 67 F 4.4721 8.1687 118.9160 60.3801 38.7910 177.7382 68 V 3.6618 7.5529 116.8600 65.7744 30.7979 177.6529 69 E 4.0677 8.0407 117.7082 58.7142 29.0303 178.1196 70 L 4.3231 7.3783 119.6041 55.5620 41.9763 177.2824 71 G 4.0158 7.4967 106.2649 45.7928 0.0000 174.2171 72 T 4.7164 7.4502 115.2022 61.5115 69.6073 172.4309 73 Q 4.7459 7.6819 124.1565 56.8924 36.9800 172.5996 74 P 4.4107 0.0000 0.0000 63.0371 32.3881 176.2815 75 A 4.2426 8.2226 121.8857 53.2950 21.0515 176.9733 76 T 3.4854 8.8641 109.0722 62.8685 66.6506 173.0050 77 Q 4.2149 7.7896 122.9150 57.5832 28.6162 173.7769 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 4 E 8.43 4.28 0.00 1.94 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 2.19 2.30 0.00 5 P 0.00 4.36 0.00 2.30 2.03 0.00 3.81 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 6 C 8.07 4.46 0.00 2.97 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 7 V 7.39 3.77 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 0.84 0.00 0.00 0.97 0.00 0.00 8 E 8.21 3.98 0.00 1.99 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 0.00 2.36 2.35 0.00 9 S 7.71 4.13 0.00 4.02 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 10 L 7.75 4.13 0.00 1.74 1.95 1.12 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.90 3.33 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 0.81 0.00 0.00 1.07 0.00 0.00 12 S 7.87 4.01 0.00 4.05 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 13 Q 7.29 3.94 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.04 0.00 0.00 0.00 0.00 0.00 2.41 2.66 0.00 14 Y 7.72 4.38 0.00 3.18 3.27 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 15 F 7.41 4.12 0.00 2.94 3.05 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 0.00 0.00 0.00 16 Q 8.24 4.02 0.00 2.35 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.57 0.00 0.00 0.00 0.00 0.00 2.41 2.68 0.00 17 T 7.49 4.20 4.51 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 0.00 0.00 0.00 1.32 0.00 0.00 18 V 7.34 3.43 1.73 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 0.77 0.00 0.00 0.92 0.00 0.00 19 T 7.33 3.65 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 1.12 0.00 0.00 20 D 8.02 4.29 0.00 2.85 2.72 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 21 Y 7.15 4.58 0.00 3.10 3.21 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 22 G 6.96 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.76 3.99 0.00 2.00 1.85 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.70 7.81 24 D 7.95 4.67 0.00 2.88 2.75 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 25 L 7.89 4.04 0.00 2.03 1.88 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 26 M 8.11 4.20 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.61 0.00 27 E 8.08 3.98 0.00 2.24 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 2.33 2.59 0.00 28 K 7.85 4.17 0.00 1.93 1.86 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.70 7.81 29 V 7.14 4.08 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 1.11 0.00 0.00 1.00 0.00 0.00 30 K 8.54 4.30 0.00 1.82 1.83 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.54 7.81 31 S 7.84 4.00 0.00 4.22 4.11 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 32 P 0.00 4.26 0.00 2.14 2.11 0.00 3.75 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.15 0.00 33 E 7.89 3.91 0.00 2.17 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 0.00 2.28 2.56 0.00 34 L 7.29 4.23 0.00 1.60 1.70 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.96 4.35 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 36 A 7.66 4.68 1.15 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 0.00 0.00 37 E 7.31 4.40 0.00 1.87 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 38 A 8.32 4.09 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 39 K 7.55 4.18 0.00 1.43 0.74 0.00 1.29 0.00 0.00 1.41 0.00 0.00 2.73 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.30 0.56 7.81 40 S 7.45 4.28 0.00 3.67 3.31 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 41 Y 7.77 4.82 0.00 3.20 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.43 4.53 0.00 3.26 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 43 E 8.15 3.89 0.00 2.09 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 0.00 2.56 2.39 0.00 44 K 8.09 4.21 0.00 1.99 1.96 0.00 1.92 0.00 0.00 1.91 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.74 1.36 7.81 45 S 8.15 4.38 0.00 4.10 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 0.00 46 K 7.75 4.09 0.00 1.93 1.91 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.68 7.81 47 E 8.17 4.32 0.00 2.22 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 2.34 2.60 0.00 48 Q 7.33 4.51 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.97 0.00 0.00 0.00 0.00 0.00 2.30 2.59 0.00 49 L 7.99 4.23 0.00 1.70 1.70 0.90 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.88 3.91 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 1.21 0.00 0.00 51 P 0.00 4.45 0.00 2.25 2.30 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 52 L 7.23 3.96 0.00 1.95 1.92 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.62 3.95 1.87 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 1.80 0.83 0.91 0.00 0.00 54 K 7.93 4.22 0.00 1.87 1.82 0.00 1.55 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.47 7.81 55 K 7.89 4.03 0.00 2.06 1.94 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.40 1.42 7.81 56 A 7.81 4.12 1.35 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 57 G 7.78 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.31 4.57 4.18 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 0.00 0.00 0.00 1.23 0.00 0.00 59 E 7.46 3.97 0.00 1.89 1.60 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 2.05 2.14 0.00 60 L 7.39 3.83 0.00 1.79 1.69 1.10 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.82 3.57 2.23 0.00 0.00 0.00 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 62 N 7.71 4.30 0.00 2.61 2.71 0.00 0.00 7.17 8.13 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 63 F 7.27 4.30 0.00 2.99 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.64 4.10 0.00 1.78 1.80 1.15 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.05 4.25 0.00 3.91 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 0.00 66 Y 7.58 4.57 0.00 3.04 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 67 F 8.17 4.47 0.00 3.32 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 68 V 7.55 3.66 2.24 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 1.05 0.00 0.00 1.02 0.00 0.00 69 E 8.04 4.07 0.00 2.05 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 0.00 2.34 2.35 0.00 70 L 7.38 4.32 0.00 1.62 1.56 0.15 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.50 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 72 T 7.45 4.72 4.38 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 0.00 0.00 0.00 1.21 0.00 0.00 73 Q 7.68 4.75 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.97 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 74 P 0.00 4.41 0.00 2.07 1.97 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 75 A 8.22 4.24 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 76 T 8.86 3.49 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 1.21 0.00 0.00 77 Q 7.79 4.21 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.32 0.00 0.00 0.00 0.00 0.00 2.22 2.45 0.00