NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4724 8.3049 120.3491 55.4928 33.6890 175.5756 2 K 4.2462 7.7825 116.1943 57.3522 35.1086 177.6476 3 A 3.9797 8.1285 120.7006 54.5836 19.6417 178.5182 4 K 4.0826 8.0051 116.6073 59.7934 32.6712 177.9469 5 E 4.0389 8.2015 116.9096 59.0693 29.6522 177.6874 6 L 3.6874 7.7830 119.4024 56.7234 42.3596 176.0986 7 R 3.7674 8.6608 126.5586 56.3552 27.2868 175.5090 8 E 4.4816 8.1908 117.0246 55.7794 31.3206 171.9954 9 K 4.1580 8.2385 122.8516 56.5106 32.9044 176.4688 10 S 4.5294 8.4435 119.5831 59.2739 62.9658 176.0734 11 V 3.9542 7.4386 120.5183 64.7606 32.3343 176.8312 12 E 4.1049 8.0703 117.8607 59.5625 29.3869 178.8901 13 E 3.9067 8.2001 119.0210 59.1701 29.8954 178.3482 14 L 4.0589 7.4746 119.6508 57.2553 42.0171 178.3893 15 N 4.4175 8.1053 116.2232 56.5621 39.0004 177.1761 16 T 3.8788 7.8510 116.5881 67.0826 68.3955 175.2489 17 E 3.8609 8.3340 120.6559 59.5327 29.4139 178.3651 18 L 3.9377 8.1423 119.2900 58.5664 42.2359 179.6128 19 L 4.0157 8.5268 118.8552 57.9356 41.4779 178.7082 20 N 4.3376 8.7968 117.0395 56.7222 38.2407 176.6809 21 L 3.9000 7.9966 119.9712 58.1227 41.9812 179.4617 22 L 3.2271 9.0001 114.1967 59.1704 44.3312 182.3196 23 R 4.7073 7.5038 116.4180 55.6333 30.4737 181.2954 24 E 3.0562 7.9139 121.8386 56.9049 30.6040 177.5128 25 Q 4.2502 7.5183 128.6234 59.0429 29.9541 177.5748 26 F 4.4663 8.2879 121.0847 60.5444 39.9513 177.2156 27 N 4.3200 7.6905 116.4796 56.3437 38.3078 177.0403 28 L 4.0207 8.3109 120.6887 57.9929 41.7309 179.5809 29 R 3.9838 7.8302 117.5154 59.7590 29.8101 177.9405 30 M 3.7679 7.7266 117.1260 58.4858 32.2991 178.4292 31 Q 3.9946 8.7308 119.6518 59.1208 29.4319 177.5406 32 A 3.9089 8.7704 122.6454 55.5964 18.2280 179.6042 33 A 4.0631 8.0134 117.7381 54.2989 18.6784 178.1120 34 S 4.5755 7.9853 113.2433 58.9100 64.3936 176.5172 35 G 4.0351 7.6226 110.2648 46.9923 0.0000 175.5108 36 Q 4.3259 7.3194 120.8201 53.9950 28.4577 174.6243 37 L 3.5589 8.5601 131.1664 56.2727 40.6303 174.4685 38 Q 4.0879 8.7333 125.2087 58.1897 29.2514 176.9711 39 Q 4.4852 7.7080 118.7424 54.3550 27.9632 175.8580 40 S 4.2021 8.3948 122.5370 61.8920 62.9256 175.6383 41 H 4.2542 8.4834 118.2239 58.1751 27.6918 177.3402 42 L 3.8278 7.4556 121.5560 57.8475 41.2532 178.8944 43 L 4.1027 7.8880 118.8584 58.2888 41.4575 178.4374 44 K 4.0920 8.0155 120.3175 57.8915 31.9203 176.7159 45 Q 4.2066 7.0683 119.0935 57.3825 29.0430 174.9234 46 V 3.6029 8.1434 122.2106 62.7457 31.2233 172.9386 47 R 3.8710 8.0105 117.1180 60.0684 30.1001 179.1095 48 R 4.1331 8.1975 117.1195 58.6837 30.0740 178.7426 49 D 4.3205 7.9963 118.5049 57.3802 40.9533 178.3522 50 V 3.5589 8.3011 118.8393 66.3213 31.3031 177.8246 51 A 4.0361 7.6774 118.8040 55.1848 18.0749 179.7798 52 R 3.8176 7.8010 116.5283 59.3745 30.0014 179.0295 53 V 3.5787 7.8187 117.1204 66.5018 31.5381 178.1041 54 K 4.1608 8.4570 116.4425 59.3546 31.6077 179.4389 55 T 3.9704 8.1589 116.6889 65.7607 68.5728 174.7567 56 L 3.9900 7.2593 120.3264 56.0816 42.5535 175.8955 57 L 4.1907 8.9468 122.4691 54.9968 41.5014 174.9482 58 N 4.7903 7.5242 112.6691 53.1385 39.0802 174.5990 59 E 4.5760 7.9466 113.7186 57.4277 31.9527 177.3200 60 K 3.9448 8.2971 119.5152 58.8667 32.6803 176.7735 61 A 4.3703 7.7906 121.2718 51.7060 19.8600 178.6252 62 G 4.0150 8.9374 105.5835 46.2436 0.0000 174.0211 63 A 4.1805 7.8743 127.1653 52.4685 19.3624 175.7218 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 1 M 8.30 4.47 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.87 0.00 2 K 7.78 4.25 0.00 1.92 1.73 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.56 7.81 3 A 8.13 3.98 1.28 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 0.00 0.00 0.00 4 K 8.01 4.08 0.00 1.73 1.84 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.46 7.81 5 E 8.20 4.04 0.00 2.00 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 0.00 2.31 2.30 0.00 6 L 7.78 3.69 0.00 1.79 1.62 0.95 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.66 3.77 0.00 1.95 1.91 0.00 3.37 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 8 E 8.19 4.48 0.00 2.05 1.81 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 2.20 2.34 0.00 9 K 8.24 4.16 0.00 2.06 1.80 0.00 1.65 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.50 7.81 10 S 8.44 4.53 0.00 3.90 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 11 V 7.44 3.95 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 0.89 0.00 0.00 0.93 0.00 0.00 12 E 8.07 4.10 0.00 2.39 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 2.40 2.32 0.00 13 E 8.20 3.91 0.00 2.29 1.94 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 2.31 2.32 0.00 14 L 7.47 4.06 0.00 1.84 1.65 0.92 0.64 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 15 N 8.11 4.42 0.00 3.01 2.83 0.00 0.00 6.84 6.59 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 16 T 7.85 3.88 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 17 E 8.33 3.86 0.00 2.08 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 0.00 2.31 2.44 0.00 18 L 8.14 3.94 0.00 1.95 1.66 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.53 4.02 0.00 1.98 1.70 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.80 4.34 0.00 2.94 2.83 0.00 0.00 6.90 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.00 3.90 0.00 1.57 1.71 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 22 L 9.00 3.23 0.00 1.87 1.58 0.85 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.50 4.71 0.00 2.03 1.09 0.00 3.38 0.00 0.00 3.28 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 24 E 7.91 3.06 0.00 2.21 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 25 Q 7.52 4.25 0.00 2.01 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 26 F 8.29 4.47 0.00 3.11 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 27 N 7.69 4.32 0.00 2.91 2.91 0.00 0.00 7.10 6.62 0.00 0.00 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 L 8.31 4.02 0.00 1.79 1.71 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.83 3.98 0.00 1.95 1.75 0.00 3.08 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 30 M 7.73 3.77 0.00 1.82 2.02 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.47 0.00 31 Q 8.73 3.99 0.00 2.11 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 32 A 8.77 3.91 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 33 A 8.01 4.06 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 34 S 7.99 4.58 0.00 4.07 4.15 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 35 G 7.62 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 36 Q 7.32 4.33 0.00 2.13 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.13 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 37 L 8.56 3.56 0.00 1.80 1.66 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.73 4.09 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 39 Q 7.71 4.49 0.00 2.43 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 40 S 8.39 4.20 0.00 4.08 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 0.00 41 H 8.48 4.25 0.00 3.40 3.60 0.00 5.48 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.46 3.83 0.00 1.83 1.71 0.60 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.89 4.10 0.00 1.69 1.71 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.02 4.09 0.00 1.86 1.88 0.00 1.53 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.49 7.81 45 Q 7.07 4.21 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 5.49 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 46 V 8.14 3.60 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 0.73 0.00 0.00 0.95 0.00 0.00 47 R 8.01 3.87 0.00 2.30 2.06 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 48 R 8.20 4.13 0.00 1.87 1.95 0.00 3.35 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 49 D 8.00 4.32 0.00 2.86 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.30 3.56 2.35 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 1.01 0.00 0.00 0.97 0.00 0.00 51 A 7.68 4.04 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 52 R 7.80 3.82 0.00 2.02 1.99 0.00 3.32 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 53 V 7.82 3.58 2.26 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 0.83 0.00 0.00 0.99 0.00 0.00 54 K 8.46 4.16 0.00 1.72 1.86 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.65 7.81 55 T 8.16 3.97 4.45 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 1.21 0.00 0.00 56 L 7.26 3.99 0.00 1.71 1.67 1.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.95 4.19 0.00 1.96 2.13 0.92 0.52 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 58 N 7.52 4.79 0.00 2.78 2.86 0.00 0.00 7.01 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 7.95 4.58 0.00 2.04 2.05 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 2.26 2.38 0.00 60 K 8.30 3.94 0.00 1.75 1.94 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.43 7.81 61 A 7.79 4.37 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 62 G 8.94 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 63 A 7.87 4.18 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00