NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3161 8.1744 110.9428 61.3272 70.5454 173.3730 6 N 4.6964 7.9611 119.6828 53.2896 39.0783 173.3709 7 S 4.4285 8.1107 112.2030 57.5746 64.7166 172.8747 8 D 4.8722 8.5584 121.7845 54.5848 42.4373 174.3875 9 F 5.3818 8.0163 115.7644 55.3205 41.6428 173.8408 10 V 4.5425 8.7804 111.8538 59.4753 35.4915 174.9164 11 V 4.9089 8.4963 122.8797 61.2698 34.1060 174.4026 12 I 4.9603 8.9962 128.3501 59.3452 40.7994 174.0870 13 K 5.0275 9.2489 128.6078 54.1980 34.7608 174.9281 14 A 4.4622 8.7583 130.2750 52.3116 19.0083 177.5010 15 L 4.6302 8.9766 122.6847 54.8143 42.5678 176.0428 16 E 4.6945 7.7349 115.5698 54.5541 32.6266 174.4047 17 D 4.4730 8.3441 119.0619 55.5973 41.3183 177.1909 18 G 3.8945 8.3038 109.2816 45.4623 0.0000 174.0974 19 V 3.8713 7.5518 119.8623 63.2038 32.9161 174.2879 20 N 5.3721 9.0935 124.6005 51.4492 41.4687 173.5429 21 V 4.5516 8.8382 124.6219 61.3877 33.5938 174.2008 22 I 4.5481 8.4790 129.8845 59.3426 39.5773 175.0572 23 G 4.0944 8.6819 115.1808 45.2205 0.0000 172.5672 24 L 5.3820 8.9804 126.4611 53.4787 43.7070 176.4426 25 T 4.4790 8.8078 114.5389 61.7811 69.2359 174.2587 26 R 4.3418 7.9293 126.1473 56.8543 30.9267 175.2837 27 G 3.7448 8.7636 109.5652 44.0992 0.0000 173.0679 28 A 4.0556 8.5875 121.5787 54.5281 18.6515 177.7950 29 D 4.7850 7.8278 114.1383 53.5747 42.4238 176.3271 30 T 4.5282 8.2128 121.6128 61.1371 69.0463 172.8370 31 R 4.6696 8.6353 122.6885 53.5683 32.7147 175.3997 32 F 5.3051 8.4661 116.5707 57.5620 39.6210 175.4018 33 H 5.0566 8.8682 119.2652 56.1273 30.6311 173.6384 34 H 4.7883 7.6583 117.6759 54.9003 33.3869 171.9939 35 S 4.7054 8.2136 119.4309 56.4383 64.5391 172.4198 36 E 4.4081 8.9552 129.9026 54.9403 30.9279 174.8370 37 K 4.8610 8.6020 126.8148 55.5346 33.2068 175.9889 38 L 4.9474 9.0036 125.3011 53.0674 44.6238 176.0140 39 D 4.6344 9.4746 123.2271 52.7934 42.9416 175.9868 40 K 4.0213 8.6193 121.9691 58.6178 32.3328 177.0638 41 G 4.0384 9.0484 115.7733 45.1691 0.0000 173.5431 42 E 4.2248 8.1328 119.6345 56.3373 30.7129 176.0782 43 V 4.9164 8.3149 122.2464 60.9926 34.3662 174.2364 44 L 4.7794 9.0157 129.3781 53.2395 44.9298 174.8052 45 I 5.0734 8.4701 126.2107 59.5342 39.4656 174.7586 46 A 4.6837 8.8825 128.6039 50.1947 22.1002 175.2676 47 Q 4.8101 8.6296 120.8846 54.9164 30.4367 175.8220 48 F 4.7448 8.5124 120.5561 58.1155 39.8634 175.1194 49 T 4.6563 8.6881 111.0938 60.3509 71.8396 172.9775 50 E 4.0029 8.9572 121.3229 59.6342 29.5792 177.5197 51 H 4.5441 8.1154 113.9570 56.6230 29.8157 174.2862 52 T 5.5629 8.3175 116.0790 60.8117 71.1989 174.3872 53 S 4.9486 8.9317 119.6767 57.9342 64.8834 173.1844 54 A 5.0675 7.8516 120.9802 51.3533 22.5259 175.3757 55 I 5.0421 8.4971 120.2701 59.4251 40.9870 174.6055 56 K 4.5787 8.9583 128.1503 54.4802 34.7750 174.5886 57 V 4.7395 8.4316 126.8292 61.1935 33.5716 174.5474 58 R 4.5375 9.0802 126.9588 55.6101 32.7986 176.5810 59 G 4.1857 9.0239 108.8883 44.2639 0.0000 172.2109 60 K 4.5696 9.3820 120.5075 55.9208 33.0485 175.5589 61 A 5.0927 8.7356 127.5319 51.0279 23.5015 173.7448 62 Y 4.9542 9.2294 121.7508 55.9622 41.1672 174.5932 63 I 4.9154 8.3733 127.2844 59.4646 40.9742 174.3050 64 Q 4.9574 8.7477 125.5192 54.3340 31.8074 174.9456 65 T 4.8324 8.6306 113.4212 59.5516 72.3927 174.5400 66 R 3.7430 8.5578 120.4244 59.3795 29.8890 176.5684 67 H 4.7619 8.4886 112.5456 55.0456 29.5148 174.2634 68 G 3.7462 6.7799 106.2560 44.2144 0.0000 173.2215 69 V 4.7687 7.9131 113.0847 59.9795 34.6299 175.1465 70 I 4.4987 8.1731 121.3301 60.1173 41.9138 172.8297 71 E 5.3058 8.6419 126.3464 54.5197 31.7508 176.1683 72 S 4.5743 8.9101 119.1931 58.1315 64.9245 172.8967 73 E 4.9276 8.6983 119.5187 54.6646 32.8250 175.5056 74 G 4.2606 8.5251 109.0976 43.6973 0.0000 173.7581 75 K 4.1372 8.6711 118.4465 57.2959 32.2705 176.6733 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 4.32 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 7.96 4.70 0.00 2.80 2.85 0.00 0.00 7.12 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 8.11 4.43 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 8.56 4.87 0.00 2.83 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 5.38 0.00 2.97 2.88 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 0.00 0.00 0.00 10 V 8.78 4.54 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 0.60 0.00 0.00 0.79 0.00 0.00 11 V 8.50 4.91 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 1.04 0.00 0.00 1.15 0.00 0.00 12 I 9.00 4.96 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 0.65 0.91 0.00 0.00 13 K 9.25 5.03 0.00 1.87 1.82 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.39 7.81 14 A 8.76 4.46 1.39 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 0.00 0.00 15 L 8.98 4.63 0.00 1.65 1.72 0.97 0.91 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 7.73 4.69 0.00 2.02 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 8.34 4.47 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 8.30 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.55 3.87 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 0.90 0.00 0.00 0.96 0.00 0.00 20 N 9.09 5.37 0.00 2.62 2.58 0.00 0.00 6.32 7.76 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 21 V 8.84 4.55 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 0.99 0.00 0.00 0.89 0.00 0.00 22 I 8.48 4.55 1.40 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.26 -0.52 0.00 0.00 23 G 8.68 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 24 L 8.98 5.38 0.00 1.88 1.72 0.95 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.81 4.48 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 1.40 0.00 0.00 26 R 7.93 4.34 0.00 1.89 1.99 0.00 3.22 0.00 0.00 3.07 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.43 0.00 27 G 8.76 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 28 A 8.59 4.06 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 7.83 4.78 0.00 2.64 2.58 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 30 T 8.21 4.53 4.26 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 1.28 0.00 0.00 31 R 8.64 4.67 0.00 1.94 2.02 0.00 2.78 0.00 0.00 3.46 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 32 F 8.47 5.31 0.00 3.02 2.88 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 0.00 0.00 0.00 33 H 8.87 5.06 0.00 3.13 3.47 0.00 5.78 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 7.66 4.79 0.00 3.25 3.04 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 8.21 4.71 0.00 3.70 3.60 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 36 E 8.96 4.41 0.00 2.16 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 8.60 4.86 0.00 1.66 1.71 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.39 7.81 38 L 9.00 4.95 0.00 1.51 1.53 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 9.47 4.63 0.00 2.65 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 40 K 8.62 4.02 0.00 1.78 1.75 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.41 7.81 41 G 9.05 4.04 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 0.00 0.00 0.00 42 E 8.13 4.22 0.00 2.07 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 2.26 0.00 43 V 8.31 4.92 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 0.81 0.00 0.00 0.97 0.00 0.00 44 L 9.02 4.78 0.00 1.74 1.45 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.47 5.07 1.76 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 0.78 0.72 0.00 0.00 46 A 8.88 4.68 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 8.63 4.81 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 48 F 8.51 4.74 0.00 3.02 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 49 T 8.69 4.66 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 1.28 0.00 0.00 50 E 8.96 4.00 0.00 1.91 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 2.05 2.27 0.00 51 H 8.12 4.54 0.00 3.23 3.16 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.32 5.56 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 1.39 0.00 0.00 53 S 8.93 4.95 0.00 3.80 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 54 A 7.85 5.07 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 55 I 8.50 5.04 1.87 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.76 0.84 0.00 0.00 56 K 8.96 4.58 0.00 1.81 1.52 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.36 7.81 57 V 8.43 4.74 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 0.85 0.00 0.00 0.89 0.00 0.00 58 R 9.08 4.54 0.00 1.75 1.78 0.00 3.16 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 59 G 9.02 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 0.00 0.00 0.00 0.00 60 K 9.38 4.57 0.00 1.82 1.71 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.42 7.81 61 A 8.74 5.09 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 62 Y 9.23 4.95 0.00 3.00 2.84 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 63 I 8.37 4.92 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.55 0.86 0.00 0.00 64 Q 8.75 4.96 0.00 1.90 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.11 1.96 0.00 65 T 8.63 4.83 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 1.14 0.00 0.00 66 R 8.56 3.74 0.00 1.59 1.71 0.00 3.16 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 67 H 8.49 4.76 0.00 3.18 3.25 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 6.78 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 69 V 7.91 4.77 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 0.70 0.00 0.00 0.98 0.00 0.00 70 I 8.17 4.50 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.25 0.84 0.00 0.00 71 E 8.64 5.31 0.00 1.92 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 2.54 2.48 0.00 72 S 8.91 4.57 0.00 3.90 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 8.70 4.93 0.00 1.83 1.86 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 2.21 2.29 0.00 74 G 8.53 4.26 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 0.00 75 K 8.67 4.14 0.00 1.88 1.85 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.42 7.81