NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4834 8.3049 120.3484 55.3957 33.0101 174.1560 2 K 4.3234 8.0492 126.7668 55.1160 35.5912 174.5176 3 S 4.0266 9.8931 116.7362 62.8968 62.4957 175.6776 4 I 3.8809 7.8796 119.9000 61.9218 37.3780 177.6312 5 G 4.0070 7.6697 106.0660 45.9678 0.0000 173.1415 6 V 4.4241 7.2171 112.3532 58.9184 33.8104 175.6216 7 V 4.4339 8.2709 123.4005 59.8065 33.5631 175.0417 8 R 4.6736 8.3179 120.2797 54.2914 33.1067 175.1431 9 K 4.5274 8.1683 118.1189 54.1570 34.4307 176.8101 10 V 3.7338 8.3769 123.6702 62.9502 31.2826 174.5173 11 D 4.3858 8.2019 126.6910 56.3638 41.7631 176.1049 12 E 4.8162 7.7523 117.1937 58.0225 37.1604 177.0355 13 L 4.1284 8.2352 117.0670 55.9121 41.8457 178.7147 14 G 5.0706 7.5135 116.3360 46.1616 0.0000 172.8067 15 R 4.0534 7.2475 121.0474 56.1026 30.6219 175.7445 16 I 4.6959 7.9199 114.5672 59.4662 40.8492 174.1463 17 V 4.2196 8.1186 119.7317 60.1987 31.8436 175.4169 18 M 4.3605 8.3677 124.9424 53.7282 33.0733 174.6856 19 P 4.5782 0.0000 0.0000 61.9330 32.8577 176.8753 20 I 3.6511 8.4264 119.0776 64.6650 37.5765 177.8786 21 E 3.9753 8.2076 118.6268 58.9723 29.2396 178.8931 22 L 4.0033 8.1928 121.1415 58.0718 42.1542 179.0695 23 R 3.9982 7.8890 117.5000 59.0988 29.7785 178.9038 24 R 4.0215 8.1106 117.3024 58.4759 30.3123 178.5160 25 A 4.1500 7.8596 120.1918 53.2494 18.7154 178.0246 26 L 3.9310 8.2372 116.3570 55.5960 40.1350 177.9193 27 D 4.7871 8.6413 120.3992 53.8643 40.9875 177.0790 28 I 4.4591 8.1468 119.7335 60.9430 39.1905 175.6405 29 A 4.5721 9.5094 127.6261 53.4707 20.2853 177.5090 30 I 4.6495 7.5252 109.7022 61.5835 42.3235 175.2148 31 K 4.4628 8.0496 115.7496 58.2356 36.4746 178.3911 32 D 4.2307 8.0392 114.0763 54.4914 41.5472 177.1127 33 S 4.6671 8.2970 122.4832 58.6252 67.2560 172.8143 34 I 4.7856 8.3420 124.0554 59.9674 40.3228 173.8813 35 E 4.1019 9.5375 129.2582 54.3128 31.5944 174.7156 36 F 5.7255 7.6200 124.2579 55.9376 42.2496 174.6249 37 F 4.9095 9.4821 123.9955 56.4279 42.1090 173.9446 38 V 4.6812 8.1644 126.0499 60.6242 33.1459 175.3294 39 D 4.5663 9.3018 123.8287 52.9754 42.7733 175.2144 40 G 4.0174 8.8901 118.8927 45.2686 0.0000 171.7364 41 D 4.8222 8.5859 121.5113 51.7530 41.9937 176.1481 42 K 4.6847 8.1522 119.6950 55.3843 35.8677 174.9248 43 I 5.0442 8.2143 120.1106 59.5433 40.5830 175.4686 44 I 4.5293 9.1039 126.6527 59.7442 39.8236 174.3161 45 L 5.4767 8.6103 127.6317 53.1689 43.3414 176.2451 46 K 4.6793 9.0714 121.5992 55.2769 36.2710 175.5565 47 K 4.9320 8.5488 121.7672 56.2126 32.9700 176.5235 48 Y 4.0833 8.6881 125.0583 60.7962 38.9877 176.6750 49 K 3.8291 8.3865 118.9328 59.1864 32.1358 174.7790 50 P 4.1894 0.0000 0.0000 62.6577 30.8164 176.3297 51 H 4.3969 8.6075 125.0275 55.0643 29.0578 174.9843 52 G 4.0020 7.8258 121.2142 44.2226 0.0000 171.5489 53 V 3.6472 7.9932 120.9767 62.2200 32.0169 176.0116 54 C 4.4852 8.3257 119.4305 60.4432 29.0265 173.7784 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 4.48 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 K 8.05 4.32 0.00 1.87 1.66 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.52 7.81 3 S 9.89 4.03 0.00 3.85 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 4 I 7.88 3.88 1.87 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 1.35 0.87 0.91 0.00 0.00 5 G 7.67 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 6 V 7.22 4.42 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 0.83 0.00 0.00 0.93 0.00 0.00 7 V 8.27 4.43 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 0.71 0.00 0.00 0.92 0.00 0.00 8 R 8.32 4.67 0.00 1.74 1.84 0.00 3.18 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 9 K 8.17 4.53 0.00 1.69 1.68 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.31 7.81 10 V 8.38 3.73 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 0.70 0.00 0.00 0.90 0.00 0.00 11 D 8.20 4.39 0.00 2.66 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 12 E 7.75 4.82 0.00 1.94 1.90 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 2.21 2.33 0.00 13 L 8.24 4.13 0.00 1.62 1.72 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.51 5.07 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 15 R 7.25 4.05 0.00 1.88 1.87 0.00 3.09 0.00 0.00 3.40 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 16 I 7.92 4.70 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.60 0.93 0.00 0.00 17 V 8.12 4.22 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 0.86 0.00 0.00 0.93 0.00 0.00 18 M 8.37 4.36 0.00 2.05 2.05 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 2.61 2.47 0.00 19 P 0.00 4.58 0.00 2.28 2.17 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.95 0.00 20 I 8.43 3.65 1.88 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 1.64 1.46 0.92 0.00 0.00 21 E 8.21 3.98 0.00 2.02 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 22 L 8.19 4.00 0.00 1.71 1.88 0.97 0.87 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 23 R 7.89 4.00 0.00 2.04 2.17 0.00 3.19 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.89 0.00 24 R 8.11 4.02 0.00 1.91 1.99 0.00 3.17 0.00 0.00 3.40 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 25 A 7.86 4.15 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 26 L 8.24 3.93 0.00 1.77 1.40 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.64 4.79 0.00 2.74 2.67 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 28 I 8.15 4.46 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.51 0.93 0.00 0.00 29 A 9.51 4.57 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 30 I 7.53 4.65 1.88 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 1.42 1.16 0.92 0.00 0.00 31 K 8.05 4.46 0.00 1.72 1.76 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.44 7.81 32 D 8.04 4.23 0.00 2.75 1.80 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.30 4.67 0.00 3.79 3.71 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 34 I 8.34 4.79 2.08 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.53 1.11 0.00 0.00 35 E 9.54 4.10 0.00 2.02 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 36 F 7.62 5.73 0.00 3.02 2.92 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 37 F 9.48 4.91 0.00 3.02 2.81 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 0.00 0.00 0.00 38 V 8.16 4.68 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 0.71 0.00 0.00 1.01 0.00 0.00 39 D 9.30 4.57 0.00 3.00 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 40 G 8.89 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 41 D 8.59 4.82 0.00 2.75 2.74 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 42 K 8.15 4.68 0.00 1.85 1.98 0.00 1.29 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.44 7.81 43 I 8.21 5.04 1.84 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 1.33 0.88 0.90 0.00 0.00 44 I 9.10 4.53 2.12 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.91 0.89 0.00 0.00 45 L 8.61 5.48 0.00 1.60 1.74 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 46 K 9.07 4.68 0.00 1.77 1.86 0.00 1.26 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.39 7.81 47 K 8.55 4.93 0.00 1.77 1.78 0.00 1.72 0.00 0.00 2.38 0.00 0.00 2.80 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.66 1.72 7.81 48 Y 8.69 4.08 0.00 2.90 2.98 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 49 K 8.39 3.83 0.00 1.82 1.89 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.53 7.81 50 P 0.00 4.19 0.00 2.06 2.00 0.00 3.81 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 51 H 8.61 4.40 0.00 2.99 3.19 0.00 5.72 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 52 G 7.83 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.99 3.65 1.91 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 0.25 0.00 0.00 0.76 0.00 0.00 54 C 8.33 4.49 0.00 2.96 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