NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.4693 8.0393 114.0076 61.7553 33.4612 173.5778 2 K 4.4278 8.8385 119.5874 55.9570 35.8802 173.1737 3 D 5.0371 8.9163 120.6511 52.3575 43.8411 177.2150 4 G 3.6645 6.6276 108.1903 46.2426 0.0000 171.0605 5 Y 5.2717 7.9529 117.6488 56.1893 38.6824 176.1660 6 I 4.0083 8.2638 118.4733 60.9193 38.3939 175.4369 7 V 4.8548 8.0586 114.2672 59.7561 35.3052 175.3515 8 K 4.4484 8.4793 122.0425 54.2250 34.0627 175.9472 9 N 3.9722 8.2489 117.7882 53.7858 38.6813 174.3591 10 Y 4.4829 8.2513 120.0864 56.9906 40.0664 175.1823 11 N 4.3232 8.8555 123.8135 54.9299 37.5178 173.6725 12 C 4.9486 7.8639 114.4766 54.4925 41.8814 174.4206 13 T 4.7262 8.1322 114.3534 61.2147 69.2242 173.8247 14 Y 4.3525 8.6597 120.3639 57.2144 38.2856 174.9234 15 F 4.9780 8.9976 127.1773 58.2890 40.1596 172.9291 16 C 4.3301 6.3027 117.0507 54.5174 43.8384 173.2805 17 F 4.4301 8.4895 117.4771 57.7187 41.0020 176.7936 18 R 4.8552 7.8157 119.5221 54.2594 32.5575 176.5524 19 N 4.5620 9.0994 121.0288 56.7094 38.6698 177.3427 20 A 4.0599 8.1125 121.5408 54.9027 18.5301 178.8323 21 Y 4.2428 8.1506 117.8572 61.2893 38.9022 178.9936 22 C 4.0056 8.0804 117.4766 59.8729 40.4932 175.4789 23 N 4.2970 8.4445 118.8914 56.8407 38.5036 176.7685 24 E 3.9238 8.1179 119.8090 59.4679 29.3044 179.2129 25 E 3.7850 7.9005 118.5972 59.3796 29.4010 178.7552 26 C 4.1122 8.2926 117.2427 60.2087 41.4953 176.2739 27 T 4.1282 7.8461 112.3356 63.7256 68.2844 176.9212 28 K 3.9592 7.8948 120.9001 58.8393 32.0397 178.0490 29 L 4.4119 7.1126 116.4774 53.9180 41.6879 177.1036 30 K 3.9047 7.9309 116.9178 56.9003 30.0385 176.3545 31 G 3.8052 7.6956 106.9895 45.6313 0.0000 174.9734 32 E 4.2551 9.1182 122.6123 59.0389 30.3570 176.3476 33 S 4.7083 7.6384 111.7576 58.1833 66.3008 173.8213 34 G 4.6462 9.1312 106.9701 46.5365 0.0000 171.6564 35 Y 5.0277 8.4228 117.3194 56.0027 42.1731 173.2102 36 C 4.6914 9.4650 121.0659 55.3239 44.8576 173.1994 37 Q 4.6356 8.5478 130.0309 54.8935 29.1764 175.0110 38 W 4.6436 9.2759 126.8861 57.0014 30.0956 176.1346 39 A 3.7350 8.7915 125.3986 52.9884 16.3650 177.4174 40 S 4.4149 7.6055 114.3362 58.4632 63.8969 173.3003 41 P 4.0229 0.0000 0.0000 64.8677 30.8197 177.1040 42 Y 4.5904 7.4698 114.3025 57.3350 38.6825 177.1337 43 G 3.7741 7.8699 109.3352 44.2629 0.0000 171.9446 44 N 4.8854 8.5251 116.4677 53.3639 39.5709 174.3458 45 A 5.1454 8.7810 124.8320 50.4361 23.5837 174.6016 46 C 4.8386 9.2176 119.9257 57.1783 42.6609 172.0760 47 Y 4.6027 8.5899 125.0421 55.7162 41.0582 173.6201 48 C 5.2400 7.9404 123.4335 55.2053 43.5121 172.2901 49 Y 5.0264 8.5024 119.4836 56.6173 40.3020 176.2274 50 K 4.0498 9.1094 121.8631 57.3248 30.1931 176.0870 51 L 4.0695 8.0170 118.7166 53.9238 42.5024 175.6756 52 P 4.5522 0.0000 0.0000 62.9344 31.8385 177.4304 53 D 4.4812 8.6246 121.2277 57.2772 40.9866 177.6976 54 H 4.2778 8.2219 113.6592 57.6352 28.7396 175.7013 55 V 3.6132 7.6080 121.2140 61.4760 31.6405 173.9012 56 P 4.3408 0.0000 0.0000 62.6696 31.7218 175.3728 57 I 4.7994 7.8369 114.9954 58.4354 40.9672 174.8988 58 R 4.1325 8.7624 124.0970 56.6326 30.1632 175.9569 59 V 4.6483 8.5837 118.7848 58.3723 35.4332 173.7867 60 P 4.3571 0.0000 0.0000 64.0547 32.0176 175.5531 61 G 3.8854 8.4115 105.7897 44.3137 0.0000 173.0523 62 K 4.5845 8.3629 118.9284 54.3867 34.8159 176.1852 63 C 4.8602 8.3181 120.2021 56.0629 44.3396 173.2657 64 H 4.5227 9.0611 123.3171 56.0788 28.9989 173.3511 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 V 8.04 4.47 2.04 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 0.92 0.00 0.00 0.94 0.00 0.00 2 K 8.84 4.43 0.00 1.77 2.00 0.00 1.27 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.47 1.42 7.81 3 D 8.92 5.04 0.00 2.61 2.45 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 0.00 4 G 6.63 3.66 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 0.00 0.00 0.00 5 Y 7.95 5.27 0.00 2.90 2.90 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 6 I 8.26 4.01 1.58 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.63 0.67 0.00 0.00 7 V 8.06 4.85 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 0.80 0.00 0.00 0.97 0.00 0.00 8 K 8.48 4.45 0.00 1.54 1.49 0.00 1.27 0.00 0.00 1.36 0.00 0.00 2.33 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.04 0.47 7.81 9 N 8.25 3.97 0.00 2.16 1.42 0.00 0.00 6.71 7.46 0.00 0.00 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 Y 8.25 4.48 0.00 3.10 2.83 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 11 N 8.86 4.32 0.00 3.03 3.07 0.00 0.00 7.02 7.65 0.00 0.00 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 C 7.86 4.95 0.00 3.07 2.90 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 13 T 8.13 4.73 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 1.04 0.00 0.00 14 Y 8.66 4.35 0.00 2.88 3.08 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 15 F 9.00 4.98 0.00 2.92 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 C 6.30 4.33 0.00 2.94 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 17 F 8.49 4.43 0.00 3.03 3.18 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 0.00 18 R 7.82 4.86 0.00 2.03 1.99 0.00 3.24 0.00 0.00 3.45 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.87 0.00 19 N 9.10 4.56 0.00 2.86 3.05 0.00 0.00 7.04 7.49 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 20 A 8.11 4.06 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.15 4.24 0.00 3.14 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 22 C 8.08 4.01 0.00 3.10 3.07 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 23 N 8.44 4.30 0.00 2.99 2.96 0.00 0.00 7.25 8.50 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 24 E 8.12 3.92 0.00 2.14 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 2.33 2.41 0.00 25 E 7.90 3.78 0.00 1.58 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 26 C 8.29 4.11 0.00 3.05 3.10 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 0.00 27 T 7.85 4.13 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 28 K 7.89 3.96 0.00 1.89 1.88 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.61 7.81 29 L 7.11 4.41 0.00 1.61 1.60 0.75 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.93 3.90 0.00 1.93 1.95 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.36 7.81 31 G 7.70 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 0.00 0.00 0.00 32 E 9.12 4.26 0.00 2.00 2.04 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 2.33 2.26 0.00 33 S 7.64 4.71 0.00 4.10 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 9.13 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.42 5.03 0.00 3.32 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 36 C 9.47 4.69 0.00 3.26 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.55 4.64 0.00 2.16 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.77 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 38 W 9.28 4.64 0.00 3.18 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 39 A 8.79 3.73 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.61 4.41 0.00 3.89 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 0.00 41 P 0.00 4.02 0.00 0.49 1.65 0.00 3.13 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.89 0.00 42 Y 7.47 4.59 0.00 2.74 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 43 G 7.87 3.77 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 0.00 0.00 0.00 44 N 8.53 4.89 0.00 2.01 2.08 0.00 0.00 6.51 8.08 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 45 A 8.78 5.15 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 46 C 9.22 4.84 0.00 2.80 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.59 4.60 0.00 2.36 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 0.00 0.00 0.00 0.00 48 C 7.94 5.24 0.00 2.45 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 49 Y 8.50 5.03 0.00 2.91 2.83 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 50 K 9.11 4.05 0.00 2.04 1.93 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.48 7.81 51 L 8.02 4.07 0.00 1.71 1.52 0.72 0.78 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 52 P 0.00 4.55 0.00 2.29 1.94 0.00 3.68 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.12 0.00 53 D 8.62 4.48 0.00 2.67 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 54 H 8.22 4.28 0.00 3.26 3.41 0.00 5.52 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 7.61 3.61 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.90 0.00 0.00 56 P 0.00 4.34 0.00 2.07 1.98 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 57 I 7.84 4.80 1.91 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 1.21 0.67 0.80 0.00 0.00 58 R 8.76 4.13 0.00 1.60 1.67 0.00 3.15 0.00 0.00 2.89 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.73 0.00 59 V 8.58 4.65 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 0.79 0.00 0.00 0.96 0.00 0.00 60 P 0.00 4.36 0.00 2.08 2.06 0.00 3.70 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 61 G 8.41 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 0.00 0.00 0.00 62 K 8.36 4.58 0.00 1.59 1.57 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.39 7.81 63 C 8.32 4.86 0.00 3.02 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 64 H 9.06 4.52 0.00 3.24 3.19 0.00 5.74 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00