NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.1881 8.1744 115.2305 61.6659 68.1715 174.6061 2 V 3.3928 6.0767 117.3892 64.3197 31.9926 173.2719 3 L 4.7445 8.5220 122.4652 53.8984 44.0936 175.0885 4 H 4.9298 10.2865 123.9201 53.9025 32.4258 176.0027 5 V 3.6103 8.2096 121.7774 66.1378 31.3567 177.9911 6 Q 3.9377 8.0860 118.7802 59.2946 28.7609 177.7236 7 E 3.9639 8.2079 117.6008 59.7798 29.9027 179.0144 8 I 3.8562 7.7330 119.3670 64.7346 36.9824 178.8079 9 R 4.0240 7.9408 117.3744 59.0478 29.9658 178.2701 10 D 4.5300 7.9333 116.8944 55.2252 41.1302 176.4774 11 M 4.4469 7.0134 118.8821 54.5658 33.2953 175.8990 12 T 4.3243 9.6430 116.9936 60.5877 68.6705 173.8512 13 P 4.3616 0.0000 0.0000 65.8862 31.2347 178.8321 14 A 4.0557 7.9420 118.8419 54.9655 18.3363 179.3573 15 E 3.9986 8.1293 117.4332 59.4187 29.5235 179.5663 16 R 3.9929 7.8987 117.7491 59.2483 30.1836 178.8137 17 E 3.9601 8.0793 118.1083 59.3224 29.4606 179.2500 18 A 4.0096 7.9648 120.7731 55.1179 18.3526 179.3450 19 E 3.9216 8.7552 118.3419 59.0780 29.5829 178.7783 20 L 3.9349 8.2030 121.0351 58.2572 42.1893 178.7839 21 D 4.3387 8.1566 118.8840 57.4272 40.7673 178.4323 22 D 4.3979 8.1206 119.4761 57.2069 40.7450 178.9948 23 L 3.9496 8.1758 119.5939 57.8614 41.6918 179.3527 24 K 3.8674 8.2447 118.6467 60.0013 31.9521 179.4962 25 T 3.8426 8.0078 115.6472 66.5838 68.3695 176.2318 26 E 3.9210 7.9481 120.7964 59.2026 29.6032 178.6150 27 L 3.8964 8.0376 120.1764 58.1166 42.2386 178.4857 28 L 3.9403 8.1974 120.6024 58.5687 41.9114 178.8422 29 N 4.3877 8.7173 116.3501 55.8958 38.3411 177.4236 30 A 3.9494 8.1046 122.4826 55.4118 18.6219 179.9677 31 R 3.9508 8.5278 116.5666 59.1360 30.0060 179.3298 32 A 3.9924 7.9998 120.8976 55.1498 18.4024 179.8861 33 V 3.5797 7.9625 116.9929 66.0177 31.5675 178.0878 34 Q 3.9206 8.5109 119.8153 58.9511 28.6561 177.9483 35 A 4.0280 7.8612 120.9167 54.8545 18.5118 178.5972 36 A 4.3416 7.8886 116.2636 51.5826 18.5654 177.5994 37 G 3.9054 7.9714 105.5971 46.4790 0.0000 174.7103 38 G 3.6485 8.6562 108.4629 45.2393 0.0000 174.5083 39 A 4.4427 8.4190 124.6828 51.8297 19.8101 177.4849 40 P 4.5108 0.0000 0.0000 63.1984 30.5884 176.2283 41 E 4.2288 8.4136 119.8409 57.6872 30.5895 177.1925 42 N 4.8104 8.5507 110.6433 53.0616 40.5604 174.7496 43 P 4.2651 0.0000 0.0000 65.0113 32.0505 178.2344 44 G 3.6568 8.1234 104.6713 47.8248 0.0000 175.7537 45 R 3.8871 8.3536 121.1832 59.0637 30.0304 178.7548 46 I 3.2517 7.9111 117.8339 64.2260 37.5460 177.4924 47 K 3.9264 7.7005 119.4664 59.4117 32.0456 178.7609 48 E 3.9778 8.3903 119.1928 59.1691 29.2367 179.2771 49 L 3.9678 8.7976 120.2845 57.8517 41.7318 179.5681 50 R 3.9124 7.4799 117.4068 59.3079 29.9903 179.2324 51 K 3.8869 7.7939 117.8152 59.3967 32.0285 178.9458 52 A 3.9854 8.2235 121.3545 55.6126 18.1929 179.7241 53 I 3.6405 8.0325 117.9276 64.5399 37.0644 178.6027 54 A 3.9948 7.9474 121.6027 54.9487 18.1133 179.9916 55 R 3.8455 8.2821 117.0709 59.5551 30.1903 179.3054 56 I 3.7243 8.0650 119.9216 64.4401 36.6210 178.7486 57 K 4.0979 8.3147 119.3974 59.6692 31.9284 179.6366 58 T 3.9964 8.2406 116.6409 66.4668 68.2793 177.0644 59 I 3.7342 8.1999 122.2506 64.5096 37.0833 178.2706 60 Q 4.2381 8.5782 119.4923 59.1727 28.0322 179.5674 61 G 3.5880 7.8411 105.3890 47.4669 0.0000 175.7764 62 E 4.0270 7.7476 119.5505 59.3813 29.5465 178.4035 63 E 4.0331 8.3277 116.5094 57.6107 29.7477 177.9580 64 G 3.9030 6.9865 105.6342 44.6577 0.0000 173.2934 65 D 4.5896 7.7964 124.9679 53.7896 42.5719 176.2678 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 T 8.17 4.19 4.22 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 1.27 0.00 0.00 2 V 6.08 3.39 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 0.76 0.00 0.00 0.93 0.00 0.00 3 L 8.52 4.74 0.00 1.62 1.54 0.98 0.95 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 4 H 10.29 4.93 0.00 3.24 3.19 0.00 5.87 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.21 3.61 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 1.04 0.00 0.00 0.93 0.00 0.00 6 Q 8.09 3.94 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.60 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 7 E 8.21 3.96 0.00 2.14 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 2.32 2.44 0.00 8 I 7.73 3.86 2.04 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 1.53 1.17 0.91 0.00 0.00 9 R 7.94 4.02 0.00 1.94 2.00 0.00 3.17 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 10 D 7.93 4.53 0.00 2.84 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 11 M 7.01 4.45 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.47 0.00 12 T 9.64 4.32 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 1.33 0.00 0.00 13 P 0.00 4.36 0.00 2.19 2.02 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 14 A 7.94 4.06 1.31 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 0.00 0.00 15 E 8.13 4.00 0.00 2.15 2.00 0.00 0.00 0.00 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 2.34 0.00 16 R 7.90 3.99 0.00 1.85 1.98 0.00 3.13 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.91 0.00 17 E 8.08 3.96 0.00 1.97 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 2.57 0.00 18 A 7.96 4.01 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 19 E 8.76 3.92 0.00 2.13 2.15 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 2.31 2.36 0.00 20 L 8.20 3.93 0.00 1.98 1.84 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.16 4.34 0.00 2.88 2.69 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 0.00 0.00 0.00 22 D 8.12 4.40 0.00 2.87 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 23 L 8.18 3.95 0.00 1.88 1.70 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.24 3.87 0.00 1.92 1.88 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.68 7.81 25 T 8.01 3.84 4.39 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 1.21 0.00 0.00 26 E 7.95 3.92 0.00 2.03 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 0.00 2.31 2.33 0.00 27 L 8.04 3.90 0.00 1.80 1.86 0.92 0.40 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 28 L 8.20 3.94 0.00 1.96 1.81 0.92 0.57 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 29 N 8.72 4.39 0.00 2.87 2.85 0.00 0.00 6.95 7.04 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 30 A 8.10 3.95 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 31 R 8.53 3.95 0.00 1.96 2.00 0.00 3.13 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 32 A 8.00 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 33 V 7.96 3.58 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 0.98 0.00 0.00 0.96 0.00 0.00 34 Q 8.51 3.92 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 35 A 7.86 4.03 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 36 A 7.89 4.34 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 37 G 7.97 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 38 G 8.66 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 39 A 8.42 4.44 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 40 P 0.00 4.51 0.00 2.19 2.15 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 41 E 8.41 4.23 0.00 1.94 1.96 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 2.34 2.42 0.00 42 N 8.55 4.81 0.00 2.69 2.69 0.00 0.00 6.82 8.03 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 43 P 0.00 4.27 0.00 2.16 2.07 0.00 3.60 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 44 G 8.12 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.35 3.89 0.00 1.95 1.99 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 46 I 7.91 3.25 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 1.52 1.34 0.95 0.00 0.00 47 K 7.70 3.93 0.00 1.89 2.03 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.47 7.81 48 E 8.39 3.98 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 2.54 2.48 0.00 49 L 8.80 3.97 0.00 1.59 1.71 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.48 3.91 0.00 2.11 1.99 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.93 0.00 51 K 7.79 3.89 0.00 1.89 1.84 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.45 7.81 52 A 8.22 3.99 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 53 I 8.03 3.64 2.03 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 1.45 0.74 0.91 0.00 0.00 54 A 7.95 3.99 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 55 R 8.28 3.85 0.00 2.05 1.98 0.00 3.12 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 56 I 8.06 3.72 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 1.52 0.76 0.96 0.00 0.00 57 K 8.31 4.10 0.00 2.01 1.86 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.59 7.81 58 T 8.24 4.00 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 1.27 0.00 0.00 59 I 8.20 3.73 2.00 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 1.79 1.00 0.91 0.00 0.00 60 Q 8.58 4.24 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.52 2.61 0.00 61 G 7.84 3.59 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 0.00 0.00 0.00 62 E 7.75 4.03 0.00 2.19 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 2.35 2.45 0.00 63 E 8.33 4.03 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.40 0.00 64 G 6.99 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 65 D 7.80 4.59 0.00 2.73 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00