NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4922 8.1633 118.3304 55.3086 33.4803 173.3469 2 Q 4.9053 8.2310 116.6302 53.9029 32.1642 173.6801 3 Y 5.2256 9.3964 120.2499 56.1887 42.4141 174.1137 4 K 5.0718 9.3390 123.0557 54.6471 35.2073 174.3037 5 L 5.0241 9.2506 130.5376 53.4233 44.0234 174.7931 6 I 4.5324 8.6172 127.4481 59.9334 39.5925 174.7585 7 L 4.5262 8.5791 127.6073 53.8163 43.0870 175.4780 8 N 4.8396 8.6305 122.0255 50.7431 38.0967 173.8620 9 G 4.5102 8.2104 118.7647 45.0160 0.0000 170.4870 10 K 4.1288 8.9856 119.4158 59.3686 32.1033 178.2250 11 T 4.4533 7.5878 103.4550 60.4923 70.1985 173.2325 12 L 4.3489 7.7811 125.2233 53.9690 41.9950 175.2000 13 K 5.3097 7.9847 124.4015 53.0714 36.6188 177.2889 14 G 4.0543 7.4712 108.5939 46.2836 0.0000 170.9507 15 E 5.3281 8.6117 119.9674 54.9959 33.4930 175.4960 16 T 4.8381 8.7929 110.4416 61.0620 72.4913 172.7987 17 T 5.2835 8.4574 118.2730 63.1761 73.2048 172.7224 18 T 4.6421 9.0777 116.1548 61.0863 71.4884 171.8881 19 E 5.1823 8.7565 127.5008 54.8141 30.6966 174.6212 20 A 4.8375 9.0747 128.0513 50.8954 22.3752 176.3842 21 V 3.8390 8.6268 118.7794 63.7039 31.9306 176.7261 22 D 5.1170 7.7954 117.8298 51.7978 44.9306 176.5995 23 A 3.2071 8.4184 125.4659 55.0353 18.4122 179.9581 24 A 4.1378 7.4193 117.9925 55.0481 18.2769 179.5158 25 T 3.7805 7.7223 110.7529 64.9700 67.3435 176.2468 26 A 3.6856 7.1823 122.5750 54.6447 18.1219 179.4057 27 E 3.5170 7.6970 116.2044 59.0970 29.5248 179.4288 28 K 3.7079 7.2095 118.3839 59.2355 31.9958 179.3873 29 V 3.3477 7.1603 117.6844 65.9673 31.5320 177.9422 30 F 4.4482 7.0501 117.1902 60.6115 38.5182 177.9541 31 K 3.5727 8.5490 117.9182 59.4092 31.7894 179.0451 32 Q 4.0629 7.9731 119.8592 59.1744 28.9377 177.5370 33 Y 4.3959 8.9868 122.3985 59.9591 38.8513 177.5523 34 A 4.0409 8.4667 122.0710 55.0896 18.2512 179.0965 35 N 4.2295 7.6136 113.3897 57.0899 39.1100 176.2144 36 D 4.4018 7.9480 119.2351 56.6487 41.2448 177.7566 37 N 4.3209 7.4070 115.6504 53.4672 39.2250 174.9270 38 G 4.0578 8.5455 106.4318 45.6554 0.0000 174.1126 39 V 4.0579 7.4249 119.1776 60.8153 31.1185 175.1363 40 D 4.9505 8.8059 124.7984 52.3468 43.3234 174.1577 41 G 3.8612 8.0183 119.4346 44.6632 0.0000 170.8461 42 E 4.4211 9.0857 121.1359 56.2007 30.8945 176.3176 43 W 5.3705 8.8496 121.3306 55.2815 32.5476 174.5966 44 T 4.8676 8.7842 117.4217 60.5310 71.1003 172.2174 45 Y 4.4750 8.1825 125.6199 55.8318 42.0410 173.5382 46 D 4.2782 9.1987 129.6353 53.4528 41.5204 176.1435 47 D 3.9434 8.0537 124.5334 53.8563 42.0470 177.2094 48 A 4.0960 7.6964 121.1014 54.8102 18.4895 177.8597 49 T 4.4467 9.0220 102.6123 60.0958 70.5980 173.6912 50 K 4.1776 7.8406 120.4471 58.3143 29.3077 175.1223 51 T 5.2509 8.7309 115.5633 62.0692 72.7063 175.1842 52 F 5.3753 9.9612 125.7120 56.4671 42.3369 175.0190 53 T 5.0556 8.6449 110.6931 60.5352 72.3846 172.7193 54 V 3.8563 7.9093 124.3789 59.6272 33.7675 174.3762 55 T 5.2493 8.7980 119.9973 58.9065 70.1427 173.3872 56 E 4.3251 8.6870 125.7912 56.4002 29.5059 175.8254 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 4.49 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.82 0.00 2 Q 8.23 4.91 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.61 0.00 3 Y 9.40 5.23 0.00 3.40 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 9.34 5.07 0.00 1.86 1.70 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.46 7.81 5 L 9.25 5.02 0.00 0.27 0.65 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.62 4.53 1.84 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 1.39 1.32 0.97 0.00 0.00 7 L 8.58 4.53 0.00 1.93 1.81 0.99 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.63 4.84 0.00 2.77 2.85 0.00 0.00 6.12 6.72 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 9 G 8.21 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.99 4.13 0.00 1.74 1.87 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.53 7.81 11 T 7.59 4.45 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 1.21 0.00 0.00 12 L 7.78 4.35 0.00 1.69 1.61 0.95 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.98 5.31 0.00 1.70 1.63 0.00 1.93 0.00 0.00 2.36 0.00 0.00 3.17 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.53 7.81 14 G 7.47 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.61 5.33 0.00 1.82 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 2.20 2.22 0.00 16 T 8.79 4.84 4.26 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 1.11 0.00 0.00 17 T 8.46 5.28 4.34 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 18 T 9.08 4.64 3.81 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 1.19 0.00 0.00 19 E 8.76 5.18 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 20 A 9.07 4.84 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 21 V 8.63 3.84 2.13 0.00 0.00 0.00 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 0.98 0.00 0.00 22 D 7.80 5.12 0.00 2.81 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 8.42 3.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.42 4.14 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 25 T 7.72 3.78 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 1.19 0.00 0.00 26 A 7.18 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.70 3.52 0.00 1.85 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 0.00 2.20 2.04 0.00 28 K 7.21 3.71 0.00 1.84 1.77 0.00 1.55 0.00 0.00 1.48 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.52 7.81 29 V 7.16 3.35 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.69 0.00 0.00 30 F 7.05 4.45 0.00 2.81 3.06 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 0.00 0.00 0.00 0.00 31 K 8.55 3.57 0.00 1.35 1.49 0.00 1.34 0.00 0.00 1.07 0.00 0.00 2.13 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.30 0.42 7.81 32 Q 7.97 4.06 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 33 Y 8.99 4.40 0.00 3.15 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 34 A 8.47 4.04 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 0.00 0.00 0.00 0.00 0.00 35 N 7.61 4.23 0.00 2.76 2.89 0.00 0.00 7.26 8.35 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 36 D 7.95 4.40 0.00 2.58 2.61 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 37 N 7.41 4.32 0.00 2.28 2.70 0.00 0.00 7.42 7.55 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 38 G 8.55 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.42 4.06 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 0.82 0.00 0.00 0.91 0.00 0.00 40 D 8.81 4.95 0.00 2.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 9.09 4.42 0.00 1.85 1.92 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 2.51 2.44 0.00 43 W 8.85 5.37 0.00 3.18 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 T 8.78 4.87 4.29 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 45 Y 8.18 4.47 0.00 2.80 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 46 D 9.20 4.28 0.00 2.42 2.47 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 0.00 47 D 8.05 3.94 0.00 2.28 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 48 A 7.70 4.10 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 49 T 9.02 4.45 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 7.84 4.18 0.00 1.98 1.92 0.00 1.73 0.00 0.00 2.15 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.28 7.81 51 T 8.73 5.25 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 1.31 0.00 0.00 52 F 9.96 5.38 0.00 2.89 3.20 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 0.00 53 T 8.64 5.06 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 1.22 0.00 0.00 54 V 7.91 3.86 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 0.29 0.00 0.00 -0.05 0.00 0.00 55 T 8.80 5.25 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 56 E 8.69 4.33 0.00 1.96 1.95 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 2.09 2.23 0.00