NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 S 4.4068 8.1933 116.7801 58.7946 64.0882 174.5064 21 N 4.5438 8.9428 125.7516 53.7305 37.9677 173.1207 22 A 4.3448 8.3836 122.6998 52.7073 19.9703 178.8223 23 T 3.8396 9.1371 119.6777 65.7393 68.6522 175.1649 24 F 5.1895 7.5071 117.2477 55.4567 42.1392 174.4838 25 G 4.3174 9.0515 110.9744 43.3062 0.0000 172.6930 26 M 4.4375 8.5079 119.1223 57.1126 32.2171 177.3768 27 G 4.0600 9.0805 112.4537 44.7274 0.0000 173.6326 28 D 4.4583 7.8843 120.0796 54.6762 42.2157 175.6182 29 R 4.6605 8.4616 122.8135 55.8368 31.4999 175.4842 30 V 5.0017 8.8692 119.1858 59.6151 36.5249 174.5117 31 R 5.1902 8.7398 117.6447 54.1059 33.3015 174.6325 32 K 4.3149 8.6230 120.3762 56.5960 31.9418 177.8615 33 K 4.2612 8.8855 125.1995 59.3078 32.2063 177.0375 34 S 4.5539 7.7475 110.2773 57.5680 66.4970 175.7977 35 G 3.5903 8.5317 108.4244 45.8982 0.0000 174.1987 36 A 4.0019 8.7316 126.4353 52.6016 18.8435 176.9918 37 A 4.5500 8.4151 123.9948 51.6229 20.1377 176.4755 38 W 4.8645 8.4028 127.1269 56.8080 34.4769 173.0039 39 Q 4.8403 7.1864 125.5985 54.1216 32.1018 174.3796 40 G 4.4989 7.7320 111.5438 45.8940 0.0000 170.4861 41 Q 4.9979 7.8156 118.6944 54.4217 31.1675 175.5704 42 I 4.3662 8.6342 124.6245 61.9781 37.8761 176.7555 43 V 4.4966 9.0297 118.8285 60.3535 33.6957 175.4839 44 G 4.1986 7.7489 106.5027 46.7220 0.0000 171.6473 45 W 5.8249 8.9303 128.1995 56.7134 34.0125 173.5749 46 Y 4.0171 7.2551 120.5975 55.8478 41.3587 173.2225 47 C 4.5944 7.6126 120.2029 58.1198 34.3187 172.7793 48 T 4.6720 8.6782 115.8349 59.6701 72.0708 174.7541 49 N 4.2833 8.8574 118.5576 56.3136 38.6722 176.7530 50 L 4.1537 7.8465 118.7007 57.4563 42.7418 176.7458 51 T 4.5249 7.7942 115.3773 60.6498 68.6410 172.4359 52 P 4.3207 0.0000 0.0000 63.7825 32.2218 177.0369 53 E 4.2254 7.7528 119.8481 54.6027 32.0780 173.8704 54 G 3.6536 7.8321 113.6950 44.1035 0.0000 169.6022 55 Y 5.4546 9.1056 117.4222 55.9629 42.5705 174.3094 56 A 5.0887 8.9879 124.3324 50.7494 21.4522 176.3241 57 V 4.9111 8.9543 122.1286 61.0731 34.9527 173.9484 58 E 5.0139 9.2179 129.9304 55.3650 30.7360 175.6008 59 S 4.2610 9.0048 123.1103 58.4851 62.5433 174.2084 60 E 4.0441 8.9570 124.0992 58.1515 30.0548 178.6004 61 A 4.1178 7.5814 121.6669 53.8720 19.4536 176.8819 62 H 4.8655 7.7766 113.2141 52.3565 28.9766 170.2503 63 P 4.4206 0.0000 0.0000 64.1351 31.9156 176.8987 64 G 4.0431 9.5585 111.6967 45.2147 0.0000 173.5207 65 S 4.7040 8.0173 116.9351 57.7286 64.2174 173.5143 66 V 5.1667 8.5876 124.2129 61.3041 34.0274 174.4640 67 Q 4.4241 8.9078 125.3866 53.7398 32.8701 174.0193 68 I 4.8774 7.4029 114.2773 59.5255 39.8092 174.3641 69 Y 5.0514 8.9891 121.3547 55.8140 42.9384 173.1725 70 P 4.7516 0.0000 0.0000 62.2396 32.5166 177.9337 71 V 3.9701 8.7333 121.1024 65.1109 31.2278 178.5560 72 A 4.0769 8.0664 121.3755 54.2479 18.4736 177.7397 73 A 4.3316 8.3293 117.9286 53.0262 19.0977 176.6580 74 L 5.4564 7.8761 115.4630 52.7038 45.0607 175.9694 75 E 4.9408 8.9073 118.5617 54.6461 33.2529 174.6556 76 R 4.5178 8.8160 122.7131 56.2799 31.0415 175.1048 77 I 4.7339 8.4001 118.2041 58.7976 41.3083 175.1740 78 N 4.5058 8.5909 118.5502 53.6752 38.5253 175.4109 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 20 S 8.19 4.41 0.00 3.85 2.97 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 21 N 8.94 4.54 0.00 2.80 2.82 0.00 0.00 6.72 6.46 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 22 A 8.38 4.34 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.14 3.84 3.65 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 0.34 0.00 0.00 24 F 7.51 5.19 0.00 2.39 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 25 G 9.05 4.32 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 0.00 26 M 8.51 4.44 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.58 0.00 27 G 9.08 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 28 D 7.88 4.46 0.00 2.62 2.49 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 0.00 0.00 0.00 0.00 29 R 8.46 4.66 0.00 1.85 1.92 0.00 3.08 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 30 V 8.87 5.00 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 -0.20 0.00 0.00 0.80 0.00 0.00 31 R 8.74 5.19 0.00 1.88 1.92 0.00 2.75 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 32 K 8.62 4.31 0.00 1.61 1.68 0.00 1.49 0.00 0.00 0.61 0.00 0.00 2.54 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.08 1.40 7.81 33 K 8.89 4.26 0.00 1.74 1.88 0.00 1.90 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.67 1.51 7.81 34 S 7.75 4.55 0.00 3.93 3.80 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 0.00 0.00 0.00 35 G 8.53 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.73 4.00 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 0.00 0.00 0.00 0.00 0.00 37 A 8.42 4.55 1.26 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 0.00 0.00 38 W 8.40 4.86 0.00 3.41 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 39 Q 7.19 4.84 0.00 2.05 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.69 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 40 G 7.73 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.82 5.00 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 7.03 0.00 0.00 0.00 0.00 0.00 2.49 2.37 0.00 42 I 8.63 4.37 2.08 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.82 1.15 0.00 0.00 43 V 9.03 4.50 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.07 0.00 0.00 44 G 7.75 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 0.00 0.00 0.00 0.00 45 W 8.93 5.82 0.00 3.26 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 46 Y 7.26 4.02 0.00 2.69 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.61 4.59 0.00 2.19 2.26 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 48 T 8.68 4.67 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 1.24 0.00 0.00 49 N 8.86 4.28 0.00 2.70 2.91 0.00 0.00 6.83 7.84 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 50 L 7.85 4.15 0.00 1.57 1.68 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.79 4.52 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 0.90 0.00 0.00 52 P 0.00 4.32 0.00 2.14 2.14 0.00 3.25 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.88 0.00 53 E 7.75 4.23 0.00 2.01 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 2.28 2.41 0.00 54 G 7.83 3.65 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 55 Y 9.11 5.45 0.00 3.13 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 56 A 8.99 5.09 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 0.00 0.00 0.00 0.00 0.00 57 V 8.95 4.91 2.55 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 1.35 0.00 0.00 1.19 0.00 0.00 58 E 9.22 5.01 0.00 2.21 1.88 0.00 0.00 0.00 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 2.48 0.00 59 S 9.00 4.26 0.00 2.72 3.67 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 60 E 8.96 4.04 0.00 2.11 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 0.00 2.29 2.13 0.00 61 A 7.58 4.12 0.97 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 0.00 0.00 62 H 7.78 4.87 0.00 3.06 3.13 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.42 0.00 2.04 2.01 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 64 G 9.56 4.04 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 0.00 65 S 8.02 4.70 0.00 4.15 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 66 V 8.59 5.17 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 0.95 0.00 0.00 1.02 0.00 0.00 67 Q 8.91 4.42 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.38 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 68 I 7.40 4.88 1.30 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.18 0.62 0.00 0.00 69 Y 8.99 5.05 0.00 2.98 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 70 P 0.00 4.75 0.00 2.25 1.98 0.00 3.82 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 71 V 8.73 3.97 2.44 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 0.79 0.00 0.00 0.92 0.00 0.00 72 A 8.07 4.08 1.34 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 0.00 0.00 0.00 73 A 8.33 4.33 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 74 L 7.88 5.46 0.00 1.91 1.52 1.20 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.91 4.94 0.00 2.02 2.03 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 2.34 2.23 0.00 76 R 8.82 4.52 0.00 1.94 1.96 0.00 3.21 0.00 0.00 3.51 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 77 I 8.40 4.73 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.80 0.88 0.00 0.00 78 N 8.59 4.51 0.00 2.73 2.76 0.00 0.00 6.77 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00