NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4030 8.1633 120.6168 55.6801 34.1265 173.7573 2 T 4.7477 8.2278 121.5153 62.2741 69.9013 172.4776 3 Y 5.0983 9.2295 123.6352 56.1201 42.3241 174.3110 4 K 5.3585 9.3216 122.6642 54.6812 36.2316 174.4285 5 L 5.0604 8.7094 126.2502 53.2814 45.3055 174.9310 6 I 4.7444 8.6641 127.3551 59.7842 39.4816 174.4415 7 L 4.6582 8.8047 128.0691 52.4797 43.4856 176.3439 8 N 5.1859 8.5399 123.5534 52.2565 38.1980 173.0436 9 G 4.3119 8.1531 110.1305 44.2536 0.0000 172.6666 10 K 4.1225 9.1969 118.8331 58.8772 32.1562 178.6739 11 T 4.3183 7.8763 113.3329 63.7350 70.4110 174.3008 12 L 4.6795 7.6367 122.9674 52.9403 43.8271 174.9962 13 K 5.0714 9.3018 124.2441 54.4676 36.3362 177.2182 14 G 3.7591 6.7314 107.6729 45.1905 0.0000 171.5125 15 E 5.8433 8.3791 119.5688 54.4849 33.7239 174.9061 16 T 4.9229 8.3525 111.8853 60.4667 73.0169 172.0505 17 T 5.5038 8.2795 111.2496 60.8690 72.5911 172.3064 18 T 4.6218 8.9770 114.1715 61.2901 71.2466 171.6165 19 E 5.2335 8.6703 125.0638 55.1068 31.1092 175.2685 20 A 4.6430 8.8653 124.3351 50.8476 22.1848 176.9636 21 V 3.7604 8.5616 113.5881 64.0568 32.2400 175.8478 22 D 4.8358 7.5636 116.6497 50.8395 42.5548 175.4944 23 A 3.4047 8.5283 119.4188 54.9620 18.0108 179.4950 24 A 3.9063 7.7695 118.8437 55.1738 18.6360 179.8581 25 T 3.7367 7.7441 114.2672 66.5569 68.4789 177.0038 26 A 3.5032 7.4300 122.3116 54.7944 18.1751 179.3026 27 E 3.0380 7.7267 117.8817 58.7162 29.7008 178.9754 28 K 3.7065 7.3257 119.9377 59.5539 32.3687 179.0878 29 V 3.5464 7.3528 118.0737 65.8530 31.2957 178.0674 30 F 4.7285 8.0326 117.9355 60.4973 38.6211 177.7585 31 K 3.9241 8.1281 118.3355 59.5893 31.7929 179.3984 32 Q 4.0010 7.9800 117.9564 59.1568 28.5042 178.2807 33 Y 4.2050 8.3978 120.3558 60.6122 38.8270 177.9944 34 A 3.8561 8.5944 122.0108 55.2299 18.4737 179.2132 35 N 4.3136 8.5757 115.8010 56.8140 38.7647 176.8251 36 D 4.4648 8.0898 119.7103 56.3302 40.8782 177.2377 37 N 4.8067 7.4449 115.6270 52.2365 39.0224 175.4056 38 G 3.8992 7.3772 106.6222 46.1756 0.0000 174.2740 39 V 3.9786 7.6834 119.3173 62.0245 32.0190 175.8094 40 D 4.7122 9.2836 126.7301 52.7385 42.2827 174.2058 41 G 3.9525 8.0684 116.5371 44.4327 0.0000 169.2223 42 E 4.7197 8.3782 119.1207 55.2651 31.4553 175.6943 43 W 5.4431 8.9496 122.1674 55.2280 32.2757 174.9631 44 T 4.9940 9.1305 112.5384 60.2985 72.4292 172.0598 45 Y 4.9909 8.4537 122.6796 56.0121 42.6274 172.9877 46 D 4.5144 7.9855 126.2801 52.3048 42.9698 175.9679 47 D 4.2594 8.5421 124.8450 55.1403 41.6152 176.7097 48 A 4.2237 8.1423 121.1110 54.3229 18.7115 177.8836 49 T 4.4910 7.1349 102.0876 59.8904 70.5047 173.6193 50 K 4.0450 8.0399 121.1646 58.5028 30.3630 174.7029 51 T 5.3851 7.5476 113.6747 61.9751 71.8964 174.1156 52 F 5.6357 9.9134 125.2339 56.4497 41.9561 174.9881 53 T 5.1538 9.3010 111.3269 59.9661 72.5641 172.9436 54 V 4.1373 8.1763 123.0441 59.9287 34.3223 174.3619 55 T 4.8527 8.4629 121.4012 61.5863 71.6782 174.0282 56 E 4.2520 8.7826 125.2116 56.4344 29.2953 176.1690 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 8.16 4.40 0.00 2.16 1.97 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 2.18 2.13 0.00 2 T 8.23 4.75 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 1.31 0.00 0.00 3 Y 9.23 5.10 0.00 3.14 3.42 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 4 K 9.32 5.36 0.00 1.93 1.74 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.40 7.81 5 L 8.71 5.06 0.00 0.27 0.64 0.82 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.66 4.74 1.84 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 1.22 0.57 0.87 0.00 0.00 7 L 8.80 4.66 0.00 1.54 1.52 1.05 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.54 5.19 0.00 2.72 2.67 0.00 0.00 6.64 7.95 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 9 G 8.15 4.31 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 0.00 10 K 9.20 4.12 0.00 1.70 1.86 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.62 7.81 11 T 7.88 4.32 4.21 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 1.19 0.00 0.00 12 L 7.64 4.68 0.00 1.60 1.45 0.79 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 13 K 9.30 5.07 0.00 1.71 1.62 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.29 1.37 7.81 14 G 6.73 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.38 5.84 0.00 1.80 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 2.20 2.13 0.00 16 T 8.35 4.92 4.20 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 17 T 8.28 5.50 4.47 0.00 0.00 0.00 0.00 0.00 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 18 T 8.98 4.62 4.10 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 0.00 0.00 0.00 0.61 0.00 0.00 19 E 8.67 5.23 0.00 1.89 1.87 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 2.25 2.25 0.00 20 A 8.87 4.64 1.19 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 21 V 8.56 3.76 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 0.76 0.00 0.00 0.92 0.00 0.00 22 D 7.56 4.84 0.00 2.78 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.53 3.40 1.04 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 24 A 7.77 3.91 1.24 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 0.00 0.00 0.00 25 T 7.74 3.74 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 1.10 0.00 0.00 26 A 7.43 3.50 0.72 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 0.00 0.00 27 E 7.73 3.04 0.00 2.11 1.87 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 1.90 2.31 0.00 28 K 7.33 3.71 0.00 1.93 1.65 0.00 1.59 0.00 0.00 1.49 0.00 0.00 2.80 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.32 7.81 29 V 7.35 3.55 1.73 0.00 0.00 0.00 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 0.79 0.00 0.00 30 F 8.03 4.73 0.00 2.83 3.04 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 31 K 8.13 3.92 0.00 1.54 1.62 0.00 1.10 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.57 1.17 7.81 32 Q 7.98 4.00 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 33 Y 8.40 4.21 0.00 3.14 3.38 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 34 A 8.59 3.86 1.69 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 0.00 0.00 35 N 8.58 4.31 0.00 2.96 3.01 0.00 0.00 7.28 9.28 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 36 D 8.09 4.46 0.00 2.81 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 37 N 7.44 4.81 0.00 2.35 2.62 0.00 0.00 6.96 7.50 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 38 G 7.38 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 39 V 7.68 3.98 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.90 0.00 0.00 40 D 9.28 4.71 0.00 2.61 2.53 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 0.00 0.00 0.00 0.00 41 G 8.07 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 0.00 0.00 0.00 42 E 8.38 4.72 0.00 1.92 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 2.29 2.44 0.00 43 W 8.95 5.44 0.00 3.20 3.27 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 0.00 0.00 0.00 0.00 44 T 9.13 4.99 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 1.27 0.00 0.00 45 Y 8.45 4.99 0.00 2.84 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 46 D 7.99 4.51 0.00 2.55 2.25 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 47 D 8.54 4.26 0.00 2.61 2.60 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 48 A 8.14 4.22 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 49 T 7.13 4.49 4.21 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 1.17 0.00 0.00 50 K 8.04 4.04 0.00 2.04 1.94 0.00 1.59 0.00 0.00 1.61 0.00 0.00 3.05 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.07 1.67 7.81 51 T 7.55 5.39 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 1.26 0.00 0.00 52 F 9.91 5.64 0.00 3.13 3.36 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 53 T 9.30 5.15 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 1.22 0.00 0.00 54 V 8.18 4.14 0.67 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 0.24 0.00 0.00 0.19 0.00 0.00 55 T 8.46 4.85 4.16 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 1.16 0.00 0.00 56 E 8.78 4.25 0.00 1.79 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 2.40 2.18 0.00