NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4274 8.1933 116.7919 58.5485 63.2174 172.4594 2 N 4.9943 8.2671 122.6702 49.5384 40.1352 173.2957 3 P 5.5055 0.0000 0.0000 62.6070 32.9314 177.4540 4 K 3.8393 8.2184 120.8909 60.1928 31.7200 177.3520 5 D 4.8943 8.7371 117.9692 54.7805 41.1365 178.6448 6 D 4.2830 8.2001 123.3982 57.3764 40.7111 177.8445 7 Y 4.3966 8.2495 117.8385 60.0543 37.6292 178.5133 8 K 3.5807 6.6293 119.3973 58.6251 31.8441 178.6353 9 I 3.3104 7.3431 119.4070 63.6090 37.4943 177.0735 10 W 5.1260 7.1613 118.2680 57.4224 29.0436 177.3015 11 L 4.4264 7.9709 119.0441 55.5863 41.5541 177.9918 12 V 4.0463 7.4577 117.1191 62.8907 32.9012 175.4283 13 I 4.4956 7.4867 112.3084 58.7174 39.6035 174.0229 14 N 4.9515 8.9853 123.1428 52.0910 39.0502 173.7058 15 P 4.3460 0.0000 0.0000 65.9288 30.8558 178.4096 16 S 4.0886 8.0227 113.8862 60.9507 62.7833 175.7295 17 T 3.9789 7.6580 117.4781 65.5508 69.1585 176.8594 18 W 4.6207 7.8018 119.5437 58.6486 29.2155 178.4380 19 L 3.6748 7.7722 120.9321 57.6316 41.4206 177.2870 20 P 3.8328 0.0000 0.0000 65.1948 31.1738 178.8074 21 V 3.6753 7.6398 117.1402 65.9061 31.7122 177.9606 22 I 3.8569 8.1119 112.7535 63.4142 37.4062 178.3500 23 W 4.5416 7.7907 121.4534 59.6991 28.9927 178.5234 24 I 3.7942 8.1837 119.9109 64.4232 36.6171 178.5494 25 V 3.6458 8.2077 119.0575 66.1530 31.3780 177.9438 26 A 4.1135 8.0813 119.8992 55.4281 18.1426 179.8238 27 T 3.9049 8.0346 114.4655 66.6686 68.4450 177.2175 28 V 3.6091 7.9623 120.2682 65.9020 31.5029 178.1833 29 V 3.5793 7.9598 117.7687 66.0849 31.3792 177.8091 30 A 4.0842 8.1155 120.3978 55.2569 18.1555 179.7654 31 I 3.6947 7.9794 118.1532 64.3695 37.1769 178.4535 32 A 4.0059 8.3369 121.9991 55.2718 18.3804 179.8844 33 V 3.5536 8.2369 117.1492 66.4562 31.5906 177.9456 34 H 4.2547 8.4664 115.8400 58.8113 28.6684 177.6403 35 A 4.0359 8.2473 122.4308 55.0532 17.9967 179.4581 36 A 3.9714 7.9821 118.3014 55.5987 18.8161 180.0666 37 V 3.7569 7.8271 110.4089 64.3447 31.4002 178.8271 38 L 3.9305 8.0340 117.7796 57.0475 41.4745 178.5278 39 A 4.3069 7.6902 118.5433 51.9209 19.1217 176.9223 40 A 4.3591 7.8697 121.6461 51.6622 19.3715 176.4353 41 P 3.4191 0.0000 0.0000 64.4092 32.5027 176.8461 42 G 3.9847 8.5255 110.0540 46.6896 0.0000 173.9064 43 F 4.6222 8.2071 117.1928 57.1282 39.8062 176.5999 44 N 4.4178 7.7600 120.6337 52.4795 38.1399 174.8682 45 W 4.3056 8.6751 126.3537 59.2014 28.2087 178.2555 46 I 3.6075 6.5981 120.2002 64.0752 36.5970 177.9471 47 A 3.9047 7.6193 121.0870 55.0826 18.2789 179.2764 48 L 4.0038 8.0874 117.7546 58.1669 41.5913 180.1890 49 G 3.6070 8.1622 105.1120 47.6247 0.0000 175.7119 50 A 4.0097 8.0190 122.9495 54.7028 18.3784 179.6055 51 A 3.8648 8.2399 119.5441 55.3433 18.3322 179.6395 52 K 3.9341 7.9518 116.7051 59.9756 31.8897 178.7737 53 S 4.2697 7.9694 115.2843 61.4158 62.5456 176.4738 54 A 4.0469 7.8243 122.5231 54.9574 18.1936 179.3020 55 A 4.0841 8.3676 118.7871 54.6146 18.4880 178.2341 56 K 4.2407 7.4470 120.2386 56.8197 32.3648 176.7416 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 S 8.19 4.43 0.00 3.91 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.27 4.99 0.00 2.75 2.88 0.00 0.00 7.12 7.45 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 3 P 0.00 5.51 0.00 2.25 2.28 0.00 3.89 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.92 0.00 4 K 8.22 3.84 0.00 1.77 2.21 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.51 1.54 7.81 5 D 8.74 4.89 0.00 2.65 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.20 4.28 0.00 2.95 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 7 Y 8.25 4.40 0.00 3.37 3.37 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 8 K 6.63 3.58 0.00 1.59 1.61 0.00 1.45 0.00 0.00 1.39 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.88 0.40 7.81 9 I 7.34 3.31 1.38 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.73 -0.58 0.00 0.00 10 W 7.16 5.13 0.00 3.43 3.25 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 11 L 7.97 4.43 0.00 1.69 1.73 0.93 1.04 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 12 V 7.46 4.05 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 0.84 0.00 0.00 0.82 0.00 0.00 13 I 7.49 4.50 1.87 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.84 0.67 0.00 0.00 14 N 8.99 4.95 0.00 2.89 2.88 0.00 0.00 6.95 7.75 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 15 P 0.00 4.35 0.00 1.97 1.62 0.00 3.89 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.85 0.00 16 S 8.02 4.09 0.00 3.97 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 17 T 7.66 3.98 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 18 W 7.80 4.62 0.00 3.53 3.26 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 19 L 7.77 3.67 0.00 1.54 1.18 0.68 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 3.83 0.00 2.09 2.06 0.00 3.63 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.83 0.00 21 V 7.64 3.68 2.50 0.00 0.00 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 0.83 0.00 0.00 22 I 8.11 3.86 1.97 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.42 1.14 0.00 0.00 23 W 7.79 4.54 0.00 3.64 3.16 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 0.00 24 I 8.18 3.79 2.11 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.25 0.98 0.00 0.00 25 V 8.21 3.65 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.05 0.00 0.00 26 A 8.08 4.11 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.03 3.90 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 1.23 0.00 0.00 28 V 7.96 3.61 2.27 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 1.12 0.00 0.00 1.02 0.00 0.00 29 V 7.96 3.58 2.27 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 1.05 0.00 0.00 1.00 0.00 0.00 30 A 8.12 4.08 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 31 I 7.98 3.69 2.07 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.76 0.94 0.00 0.00 32 A 8.34 4.01 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 33 V 8.24 3.55 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 0.98 0.00 0.00 0.98 0.00 0.00 34 H 8.47 4.25 0.00 3.52 3.59 0.00 5.87 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.25 4.04 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 36 A 7.98 3.97 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 37 V 7.83 3.76 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 0.91 0.00 0.00 1.33 0.00 0.00 38 L 8.03 3.93 0.00 1.72 1.56 0.75 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.69 4.31 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 40 A 7.87 4.36 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 41 P 0.00 3.42 0.00 2.25 1.84 0.00 3.64 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 42 G 8.53 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 0.00 0.00 0.00 43 F 8.21 4.62 0.00 3.16 3.28 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 44 N 7.76 4.42 0.00 2.81 2.66 0.00 0.00 6.44 7.56 0.00 0.00 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 W 8.68 4.31 0.00 3.67 3.58 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 46 I 6.60 3.61 1.50 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 -0.36 0.82 0.00 0.00 47 A 7.62 3.90 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 48 L 8.09 4.00 0.00 1.94 1.78 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.16 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 4.01 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 51 A 8.24 3.86 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 52 K 7.95 3.93 0.00 1.77 2.02 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.50 7.81 53 S 7.97 4.27 0.00 4.02 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 54 A 7.82 4.05 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 55 A 8.37 4.08 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.45 4.24 0.00 1.97 1.73 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.19 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.66 7.81