NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 V 4.4923 7.8132 119.7578 61.6121 33.3535 177.3063 13 E 3.0502 7.5213 117.0916 59.1975 30.0131 177.4704 14 Q 4.1323 8.8415 118.6229 59.7681 29.3654 179.5077 15 Q 3.6243 8.4001 118.9629 58.7120 28.5413 178.8318 16 F 4.3479 8.0725 119.2845 61.0528 39.0299 176.8787 17 D 4.3641 8.1546 116.6823 57.6794 40.9320 178.2095 18 L 4.1465 8.7912 119.4775 58.6123 42.0972 179.3927 19 Q 4.2111 8.2527 117.1701 59.0488 28.4552 179.3091 20 K 4.0835 8.8302 119.8319 59.7659 31.9640 178.6338 21 Y 5.1895 8.1295 115.7592 59.2595 37.9726 178.2026 22 R 4.1350 8.0074 120.3596 59.3015 30.3884 178.2456 23 Q 3.9937 8.1671 117.3406 59.6295 27.5152 179.4996 24 Q 4.0682 7.6204 118.5641 58.3833 28.5165 178.5252 25 V 4.1267 7.9959 116.6675 62.6857 32.6506 176.0343 26 R 4.5937 7.5346 115.6252 56.4148 30.1029 176.4892 27 D 4.8092 7.8520 118.2623 54.5646 43.5442 176.7001 28 I 3.7743 7.0775 112.5212 60.7255 37.9856 176.1237 29 S 4.3980 8.4010 117.8088 57.0932 63.6521 173.4815 30 R 3.6787 8.0101 118.0277 61.1294 30.0770 177.4265 31 E 5.0446 8.3177 116.9244 59.3008 30.0014 178.5812 32 D 4.3205 8.0865 115.9692 55.6809 40.9417 177.0099 33 L 4.6092 7.7584 120.1909 55.0342 42.5257 176.3893 34 E 4.5202 8.8664 119.7787 58.1028 30.2498 177.5570 35 D 4.5022 8.0547 117.1488 56.0698 41.2935 177.1652 36 L 4.6611 7.8713 118.0688 54.5756 42.0298 177.1026 37 F 4.6683 8.3761 121.2019 57.8375 40.4507 176.6380 38 I 4.0389 7.6506 111.8478 63.7635 38.0912 177.4408 39 E 4.1088 7.8584 118.5796 58.1197 29.1617 179.3242 40 V 3.6568 7.3322 118.4311 65.7164 31.7507 177.7979 41 V 3.5291 6.5862 113.8480 64.5666 31.1342 177.8520 42 R 4.0330 7.5422 116.7215 60.5492 30.0393 177.7017 43 Q 3.7811 8.3309 114.8521 59.1100 28.4971 180.0405 44 K 4.0795 8.1294 120.1162 60.1460 32.6745 178.6963 45 M 4.0889 7.8307 117.6016 58.2255 31.6270 178.4704 46 A 3.9683 8.2833 121.1288 55.6356 18.0239 179.3479 47 H 4.3139 8.1459 114.1975 58.5100 28.8690 177.4871 48 E 4.1530 8.2957 120.7914 59.8021 29.5018 179.0830 49 N 4.5759 8.2334 114.3008 54.8779 38.5140 176.5707 50 I 4.0360 6.9596 121.9556 62.9772 38.1760 177.4792 51 F 4.4610 9.3039 122.1098 61.4231 39.2915 176.7667 52 K 4.0731 8.0795 118.1449 59.8150 31.7055 178.9120 53 G 3.8293 7.6293 104.2344 48.6087 0.0000 175.1287 54 M 4.1991 8.7726 122.0156 57.3260 30.7716 178.3003 55 I 3.6216 8.2868 113.8554 61.1152 39.2717 175.7077 56 R 4.6562 7.5209 119.3809 53.1080 26.7028 174.2916 57 Q 4.5726 7.4881 124.1953 56.7452 33.8053 175.4436 58 G 3.8179 7.6670 105.4932 46.2413 0.0000 173.9434 59 S 4.3366 7.3191 115.8371 58.2245 63.2356 173.8074 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 12 V 7.81 4.49 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 0.91 0.00 0.00 0.88 0.00 0.00 13 E 7.52 3.05 0.00 2.08 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 2.65 2.67 0.00 14 Q 8.84 4.13 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.90 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 15 Q 8.40 3.62 0.00 1.89 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 16 F 8.07 4.35 0.00 3.09 2.96 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 0.00 0.00 0.00 17 D 8.15 4.36 0.00 2.82 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.79 4.15 0.00 1.89 1.81 0.93 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.25 4.21 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.79 0.00 20 K 8.83 4.08 0.00 1.79 1.69 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.67 7.81 21 Y 8.13 5.19 0.00 3.00 2.99 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 0.00 0.00 0.00 22 R 8.01 4.13 0.00 2.03 2.00 0.00 3.19 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.81 0.00 23 Q 8.17 3.99 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.83 0.00 0.00 0.00 0.00 0.00 2.47 2.66 0.00 24 Q 7.62 4.07 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.61 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 25 V 8.00 4.13 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 0.90 0.00 0.00 1.16 0.00 0.00 26 R 7.53 4.59 0.00 1.84 1.93 0.00 3.17 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 27 D 7.85 4.81 0.00 2.62 2.66 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 28 I 7.08 3.77 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 1.41 0.54 0.98 0.00 0.00 29 S 8.40 4.40 0.00 4.03 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 30 R 8.01 3.68 0.00 1.79 1.86 0.00 3.24 0.00 0.00 3.22 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 31 E 8.32 5.04 0.00 2.06 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 0.00 2.41 2.27 0.00 32 D 8.09 4.32 0.00 2.64 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 33 L 7.76 4.61 0.00 1.59 2.00 0.95 1.22 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 34 E 8.87 4.52 0.00 2.09 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 2.19 2.57 0.00 35 D 8.05 4.50 0.00 2.81 2.73 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 0.00 0.00 0.00 0.00 36 L 7.87 4.66 0.00 1.68 1.69 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.38 4.67 0.00 3.10 3.09 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 0.00 0.00 0.00 0.00 38 I 7.65 4.04 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.70 0.98 0.00 0.00 39 E 7.86 4.11 0.00 2.05 2.01 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 2.32 2.63 0.00 40 V 7.33 3.66 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.97 0.00 0.00 41 V 6.59 3.53 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 0.80 0.00 0.00 0.32 0.00 0.00 42 R 7.54 4.03 0.00 2.00 1.92 0.00 3.19 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 43 Q 8.33 3.78 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.55 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 44 K 8.13 4.08 0.00 1.72 1.76 0.00 1.54 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.64 7.81 45 M 7.83 4.09 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.87 0.00 46 A 8.28 3.97 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 47 H 8.15 4.31 0.00 3.38 3.38 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.30 4.15 0.00 2.22 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 0.00 2.36 2.50 0.00 49 N 8.23 4.58 0.00 2.82 2.86 0.00 0.00 6.97 7.33 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 50 I 6.96 4.04 2.01 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 1.70 1.25 0.97 0.00 0.00 51 F 9.30 4.46 0.00 2.88 3.09 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 0.00 0.00 0.00 0.00 52 K 8.08 4.07 0.00 1.97 1.84 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.72 7.81 53 G 7.63 3.83 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 0.00 54 M 8.77 4.20 0.00 1.95 2.27 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.80 0.00 55 I 8.29 3.62 1.58 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.57 0.36 0.00 0.00 56 R 7.52 4.66 0.00 1.86 1.93 0.00 3.12 0.00 0.00 3.18 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.84 0.00 57 Q 7.49 4.57 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.10 2.33 0.00 58 G 7.67 3.82 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 0.00 0.00 0.00 59 S 7.32 4.34 0.00 3.93 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 0.00