NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.2987 8.1127 119.7051 56.0932 31.6031 173.5730 5 E 4.7106 8.1960 119.1245 53.2791 32.2980 173.4684 6 C 4.3114 9.5313 127.0467 59.3855 32.8951 173.5520 7 D 4.5505 8.6259 126.0336 55.5742 39.7624 175.4697 8 Y 4.5384 6.8166 117.8009 58.8787 42.0457 176.3343 9 C 3.9441 8.2587 113.7437 60.2729 30.6200 175.6735 10 G 3.9877 8.4286 106.1395 44.7188 0.0000 173.1859 11 T 4.3657 7.6868 110.0411 60.7468 71.1173 173.8008 12 D 4.9666 8.5435 122.4476 54.0145 41.1288 176.5496 13 I 3.9135 8.0230 125.9070 60.9864 38.1796 176.1635 14 E 4.0873 8.8600 128.0926 54.9714 30.2037 174.1976 15 P 4.3214 0.0000 0.0000 64.2542 31.8699 176.3204 16 G 3.9124 9.5393 109.0859 46.1023 0.0000 172.6357 17 T 4.5722 7.3021 113.2913 62.2038 72.6174 174.2738 18 G 4.1212 9.1326 108.2842 45.7032 0.0000 172.5060 19 T 4.8463 8.4520 113.6973 61.7523 73.0083 173.1855 20 M 5.0447 8.7208 123.3038 53.8960 34.4700 174.3277 21 F 4.9029 9.4472 129.7734 56.9569 41.5530 174.4204 22 V 4.4031 7.4367 125.8558 61.2052 32.4600 175.0941 23 H 4.1670 8.7650 126.0485 54.8321 29.5828 176.7437 24 K 3.9159 8.7050 121.7953 59.7514 31.9697 177.8015 25 D 4.4003 7.9553 116.6274 55.3224 39.5547 175.8212 26 G 3.4590 7.5699 107.3615 44.9008 0.0000 174.0041 27 A 4.1627 8.1125 123.0282 52.7777 19.6653 176.5629 28 T 4.9366 8.4130 116.1852 62.0166 71.6480 173.7157 29 T 4.5767 8.9906 123.0859 62.0086 71.7078 172.8026 30 H 4.9597 9.5143 125.4271 55.0883 30.4126 174.7031 31 F 5.4336 9.4688 122.3162 55.9415 41.4732 176.4166 32 C 4.3553 9.2026 117.3018 60.2392 30.6469 173.5571 33 S 4.6800 7.6874 114.0679 56.0624 66.9802 174.6252 34 S 4.2975 8.4950 115.9450 61.1113 62.8415 176.0919 35 K 3.8091 7.9738 122.8478 59.7283 31.9255 178.4136 36 C 4.2602 7.8308 115.5092 62.7392 28.0791 175.9284 37 E 2.5936 7.3140 118.8969 58.8975 28.7465 179.2070 38 N 4.1806 7.9677 116.5383 56.3351 38.5070 177.3533 39 N 4.3928 8.1079 117.6978 56.1488 38.3932 177.4123 40 A 4.0221 7.5240 122.3512 55.0227 18.2324 179.1752 41 D 4.3152 7.6823 115.9704 56.4958 41.0516 178.2302 42 L 4.2609 7.3834 118.5557 55.5444 41.7911 177.8176 43 G 3.9916 7.7306 106.8725 45.2782 0.0000 173.5388 44 R 4.3996 7.5081 117.9379 55.1821 31.3386 175.7192 45 E 4.6507 8.4800 120.4058 54.2918 31.5791 176.7825 46 A 3.3623 8.2839 126.1043 55.3200 18.3888 180.0011 47 R 3.8233 7.6792 113.1561 59.1053 30.2078 177.4862 48 N 4.4306 7.8253 113.2392 53.9007 39.3021 174.8616 49 L 4.4361 7.2720 119.5584 52.7481 41.9119 176.9638 50 E 3.9681 8.8802 124.9209 59.0377 29.5672 178.9757 51 W 4.3967 7.8991 114.3941 58.8432 28.8994 176.7664 52 T 3.8344 6.8350 116.6792 62.8183 68.3741 175.3593 53 D 4.3929 8.6226 125.3394 57.7972 41.2441 178.2144 54 T 3.8675 7.7296 115.0444 66.5405 68.6843 175.6583 55 A 3.9900 7.9380 122.9499 54.7166 18.6434 177.2939 56 R 4.1753 7.4756 115.1170 56.2882 29.7269 176.0600 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 4 R 8.11 4.30 0.00 1.87 1.89 0.00 2.91 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 5 E 8.20 4.71 0.00 1.95 1.76 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 2.17 2.41 0.00 6 C 9.53 4.31 0.00 3.09 2.95 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 7 D 8.63 4.55 0.00 2.65 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 6.82 4.54 0.00 2.98 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 9 C 8.26 3.94 0.00 3.11 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.43 3.99 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 0.00 0.00 0.00 11 T 7.69 4.37 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 1.33 0.00 0.00 12 D 8.54 4.97 0.00 2.61 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.02 3.91 1.90 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 1.18 0.51 0.97 0.00 0.00 14 E 8.86 4.09 0.00 2.07 1.85 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 2.39 2.37 0.00 15 P 0.00 4.32 0.00 2.23 2.05 0.00 3.86 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 16 G 9.54 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.30 4.57 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 18 G 9.13 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.45 4.85 4.38 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 1.30 0.00 0.00 20 M 8.72 5.04 0.00 1.96 1.85 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 2.00 2.36 0.00 21 F 9.45 4.90 0.00 3.36 3.14 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 22 V 7.44 4.40 1.85 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 0.74 0.00 0.00 0.83 0.00 0.00 23 H 8.76 4.17 0.00 3.25 3.23 0.00 5.68 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.70 3.92 0.00 1.74 1.87 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.44 7.81 25 D 7.96 4.40 0.00 2.82 2.79 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 0.00 0.00 0.00 0.00 26 G 7.57 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.11 4.16 1.18 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 0.00 0.00 28 T 8.41 4.94 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 1.19 0.00 0.00 29 T 8.99 4.58 4.27 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 0.69 0.00 0.00 30 H 9.51 4.96 0.00 3.18 3.23 0.00 5.75 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.47 5.43 0.00 3.03 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 32 C 9.20 4.36 0.00 3.17 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 33 S 7.69 4.68 0.00 4.03 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.50 4.30 0.00 3.98 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 0.00 35 K 7.97 3.81 0.00 1.76 1.84 0.00 1.39 0.00 0.00 1.33 0.00 0.00 2.13 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.56 1.37 7.81 36 C 7.83 4.26 0.00 3.24 3.22 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 0.00 37 E 7.31 2.59 0.00 1.80 1.33 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 0.00 1.47 2.08 0.00 38 N 7.97 4.18 0.00 2.77 2.77 0.00 0.00 7.03 6.53 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 39 N 8.11 4.39 0.00 2.88 3.11 0.00 0.00 6.94 7.27 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 40 A 7.52 4.02 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.68 4.32 0.00 2.65 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.38 4.26 0.00 1.79 1.74 0.94 1.01 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 43 G 7.73 3.99 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 0.00 0.00 0.00 44 R 7.51 4.40 0.00 2.12 1.99 0.00 3.27 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 45 E 8.48 4.65 0.00 2.00 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 0.00 2.34 2.32 0.00 46 A 8.28 3.36 0.52 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 0.00 0.00 47 R 7.68 3.82 0.00 1.72 1.92 0.00 3.14 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 48 N 7.83 4.43 0.00 2.81 2.84 0.00 0.00 6.96 7.85 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 49 L 7.27 4.44 0.00 1.08 1.01 1.03 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.88 3.97 0.00 2.01 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 0.00 2.32 2.32 0.00 51 W 7.90 4.40 0.00 3.52 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 52 T 6.84 3.83 3.60 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 0.96 0.00 0.00 53 D 8.62 4.39 0.00 2.77 2.71 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 54 T 7.73 3.87 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 1.09 0.00 0.00 55 A 7.94 3.99 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 56 R 7.48 4.18 0.00 1.90 1.89 0.00 3.12 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.57 0.00