NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.2938 8.3144 119.9989 56.7926 34.8988 176.8950 12 E 3.8682 8.3437 120.1035 58.4347 29.7915 175.7521 13 L 4.0301 7.9585 117.8880 54.8164 43.2555 176.0371 14 S 4.4054 8.7251 118.5174 56.7255 62.4936 172.8781 15 P 4.4795 0.0000 0.0000 65.0430 31.0959 178.1800 16 Q 3.7936 7.5906 117.7505 58.3971 28.5605 176.7189 17 Y 4.8222 7.9846 114.7011 57.1566 38.9335 175.8936 18 N 4.8291 7.7796 119.5807 51.8669 39.8156 175.4226 19 W 4.2476 8.6455 117.3000 59.3878 28.0252 178.5619 20 V 2.9128 6.7938 118.5553 65.5450 31.0340 177.5203 21 A 3.8728 8.2443 120.6880 55.5611 18.1808 179.0203 22 C 4.4434 8.5616 115.3073 59.9840 41.0286 176.6558 23 G 3.6512 8.4325 107.5697 47.8242 0.0000 175.8261 24 I 3.6939 7.9879 122.7066 63.9386 37.0641 178.1749 25 L 3.9296 7.9784 121.1009 58.1032 41.8134 178.5014 26 E 4.0184 8.6221 119.6276 59.3203 29.6095 178.8979 27 G 3.7797 8.3572 105.8775 47.9163 0.0000 175.7634 28 G 3.6737 8.4367 108.9188 47.4939 0.0000 175.8301 29 L 4.0687 8.2724 121.7098 57.2127 41.6223 179.7769 30 K 3.9473 8.4331 118.6588 59.5145 31.8375 179.2862 31 A 4.0440 8.2825 119.8377 54.9122 18.3862 178.8182 32 A 4.2439 8.1326 116.9827 52.1903 18.6080 177.7666 33 G 3.8962 7.9090 105.1268 46.6481 0.0000 175.3055 34 V 4.1737 7.8023 114.5803 61.2615 33.4409 176.3802 35 L 4.6291 7.7287 120.9616 53.9639 43.1904 175.1074 36 E 4.7851 8.9464 123.8511 54.0013 33.7458 174.5209 37 E 3.9761 8.6187 121.1501 57.5439 30.0972 176.6853 38 G 3.8423 8.7235 112.4303 46.2844 0.0000 173.5695 39 Q 4.3360 7.3572 118.0556 55.6193 29.5601 175.5849 40 Y 4.7579 9.0833 119.7492 56.7066 40.5252 176.5132 41 N 4.2571 8.7996 120.4524 57.2907 39.0013 177.1616 42 R 3.8948 8.3111 119.7650 59.5169 30.1198 178.2960 43 E 3.9868 8.2118 117.8795 59.2721 29.4877 178.8493 44 L 3.9524 8.0508 120.1650 58.0770 42.0798 178.7899 45 A 3.9965 8.2278 120.8216 55.4061 18.2490 179.5325 46 E 3.9226 8.4716 116.8834 59.3178 29.5500 179.5000 47 A 3.9942 8.1249 120.9327 55.1008 18.4572 179.6981 48 I 3.6307 8.1354 118.4436 64.5859 37.1277 178.3892 49 A 4.1805 8.3407 121.6221 55.3028 17.9456 179.4291 50 A 3.9888 8.0721 118.3024 55.3733 18.5698 179.6933 51 K 4.2630 7.9468 114.7967 58.4144 32.3414 178.9607 52 G 4.0064 7.7160 105.9124 44.1761 0.0000 174.0972 53 E 4.2944 7.5352 121.1491 56.3733 30.7373 177.4435 54 G 4.0670 8.4869 108.2118 44.9265 0.0000 173.2166 55 F 3.8547 8.7137 120.3109 61.5342 39.3002 178.4974 56 W 4.6192 8.1661 118.0417 59.8927 28.7955 178.6248 57 T 4.2181 8.1158 109.0117 64.8840 68.4282 176.2729 58 T 4.0881 7.7448 111.7306 64.1728 69.1396 176.3448 59 Q 4.1837 7.6632 118.9225 55.9475 29.3157 175.7371 60 F 4.6036 8.0023 117.4813 54.1489 41.2753 173.3511 61 P 4.3624 0.0000 0.0000 65.6743 30.9733 178.5258 62 Q 4.1013 8.2828 116.4472 59.2032 28.5870 178.9120 63 I 3.9709 7.9805 120.4395 64.1681 37.2673 178.4294 64 G 3.7422 8.3486 106.7535 47.8793 0.0000 175.2017 65 D 4.3624 8.5881 120.8629 56.8342 41.2147 177.9944 66 W 4.0924 8.5694 129.1074 60.4531 30.2465 177.2271 67 N 4.4995 8.8315 117.0692 57.0229 38.4713 176.6513 68 E 3.9886 8.2173 119.7737 59.5221 29.5802 179.1592 69 D 4.2747 8.3983 119.2912 57.5453 40.8463 178.9516 70 Q 3.6907 7.9493 118.5421 58.4064 28.4265 178.5547 71 A 3.9156 7.9741 121.8875 54.9702 18.4153 179.5571 72 A 3.8748 8.0477 119.1101 55.2220 18.5950 179.6912 73 A 3.9100 7.9649 119.3259 55.2536 18.4391 179.6735 74 L 3.9390 8.1628 118.7323 58.0581 42.0646 178.9789 75 A 4.0423 8.3089 121.1483 55.1865 18.2857 179.3142 76 D 4.2972 8.2826 117.4677 57.5893 40.8764 179.2356 77 R 4.0751 8.0287 118.0301 59.2377 30.0248 178.9631 78 A 4.0561 8.1583 120.6313 55.1063 18.2825 179.4102 79 Q 3.8977 8.4042 118.3667 59.7306 28.9100 178.6644 80 T 3.7049 7.7366 115.5536 66.6895 68.5155 175.2379 81 C 4.7022 8.1150 115.3699 56.9591 40.2841 174.2063 82 G 3.9053 7.9296 108.8626 46.4104 0.0000 174.9346 83 L 4.3194 8.2232 121.3348 55.7454 42.1954 177.1016 84 V 4.6730 7.2505 109.4838 59.2700 36.0664 175.2612 85 K 4.3337 8.7650 121.8173 55.5158 33.3918 176.7214 86 A 4.4077 8.5954 125.0994 52.0253 19.1945 177.4237 87 D 4.4755 8.7519 119.6544 54.7912 40.8898 176.5828 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 11 K 8.31 4.29 0.00 1.88 2.02 0.00 1.54 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.44 7.81 12 E 8.34 3.87 0.00 2.04 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 2.30 2.41 0.00 13 L 7.96 4.03 0.00 1.70 1.64 0.96 0.88 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 14 S 8.73 4.41 0.00 3.94 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 15 P 0.00 4.48 0.00 2.18 2.25 0.00 3.74 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 16 Q 7.59 3.79 0.00 1.39 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.36 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 17 Y 7.98 4.82 0.00 2.91 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 18 N 7.78 4.83 0.00 2.98 2.97 0.00 0.00 6.77 8.55 0.00 0.00 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 W 8.65 4.25 0.00 3.64 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 6.79 2.91 1.67 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 0.79 0.00 0.00 -0.79 0.00 0.00 21 A 8.24 3.87 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 22 C 8.56 4.44 0.00 3.16 3.24 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 0.00 23 G 8.43 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.99 3.69 1.96 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.78 0.89 0.00 0.00 25 L 7.98 3.93 0.00 1.77 1.88 0.94 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 26 E 8.62 4.02 0.00 2.16 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 0.00 2.33 2.36 0.00 27 G 8.36 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 0.00 0.00 0.00 28 G 8.44 3.67 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 0.00 0.00 0.00 29 L 8.27 4.07 0.00 1.89 1.74 0.94 1.04 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 30 K 8.43 3.95 0.00 1.96 1.87 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.59 7.81 31 A 8.28 4.04 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.13 4.24 1.38 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 0.00 0.00 0.00 33 G 7.91 3.90 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 0.00 0.00 0.00 34 V 7.80 4.17 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 0.78 0.00 0.00 1.03 0.00 0.00 35 L 7.73 4.63 0.00 1.59 1.57 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.95 4.79 0.00 2.03 1.77 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 2.22 2.22 0.00 37 E 8.62 3.98 0.00 1.90 1.84 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 2.28 2.35 0.00 38 G 8.72 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 0.00 0.00 0.00 39 Q 7.36 4.34 0.00 2.40 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 40 Y 9.08 4.76 0.00 2.99 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 41 N 8.80 4.26 0.00 2.97 3.04 0.00 0.00 7.16 7.26 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 42 R 8.31 3.89 0.00 2.18 1.93 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 43 E 8.21 3.99 0.00 2.30 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 2.46 2.48 0.00 44 L 8.05 3.95 0.00 1.92 1.84 0.97 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.23 4.00 1.38 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 0.00 0.00 0.00 46 E 8.47 3.92 0.00 2.01 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 2.53 2.48 0.00 47 A 8.12 3.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.14 3.63 2.02 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 1.47 0.68 0.93 0.00 0.00 49 A 8.34 4.18 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.07 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.95 4.26 0.00 1.92 1.92 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.57 1.62 7.81 52 G 7.72 4.01 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 0.00 0.00 0.00 53 E 7.54 4.29 0.00 2.11 1.95 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 2.41 2.57 0.00 54 G 8.49 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 55 F 8.71 3.85 0.00 2.92 2.59 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 56 W 8.17 4.62 0.00 3.54 3.24 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 0.00 57 T 8.12 4.22 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 58 T 7.74 4.09 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 59 Q 7.66 4.18 0.00 1.85 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.85 0.00 0.00 0.00 0.00 0.00 1.69 1.16 0.00 60 F 8.00 4.60 0.00 3.32 3.03 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 0.00 0.00 0.00 61 P 0.00 4.36 0.00 2.20 2.14 0.00 3.65 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 62 Q 8.28 4.10 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.92 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 63 I 7.98 3.97 2.34 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.67 0.98 0.00 0.00 64 G 8.35 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.59 4.36 0.00 2.85 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 66 W 8.57 4.09 0.00 3.56 3.34 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 67 N 8.83 4.50 0.00 3.21 3.18 0.00 0.00 7.26 7.95 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 68 E 8.22 3.99 0.00 2.21 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 2.35 2.55 0.00 69 D 8.40 4.27 0.00 2.56 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 7.95 3.69 0.00 1.37 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 71 A 7.97 3.92 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.05 3.87 1.37 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 0.00 0.00 0.00 73 A 7.96 3.91 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 74 L 8.16 3.94 0.00 1.82 1.84 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.31 4.04 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 0.00 0.00 76 D 8.28 4.30 0.00 2.92 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 77 R 8.03 4.08 0.00 2.12 2.13 0.00 3.15 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.91 0.00 78 A 8.16 4.06 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 8.40 3.90 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 80 T 7.74 3.70 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 0.18 0.00 0.00 81 C 8.12 4.70 0.00 3.27 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 82 G 7.93 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.22 4.32 0.00 1.71 1.74 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.25 4.67 2.16 0.00 0.00 0.00 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 0.94 0.00 0.00 85 K 8.76 4.33 0.00 1.07 1.54 0.00 0.61 0.00 0.00 1.20 0.00 0.00 2.65 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.22 1.05 7.81 86 A 8.60 4.41 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 87 D 8.75 4.48 0.00 2.69 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00