NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4503 8.1927 116.7951 58.5459 65.0521 175.5582 2 L 3.8197 7.9325 120.9190 56.8091 42.2631 175.6559 3 A 4.3010 7.4215 125.1736 50.5945 17.9268 175.9120 4 A 4.3336 7.6718 125.2647 51.4224 19.8407 176.4065 5 D 4.5372 7.7089 116.8945 53.5953 42.0394 172.1179 6 T 3.4114 8.4454 120.3696 62.5439 68.1406 170.5045 7 P 4.4997 0.0000 0.0000 62.2900 32.9570 176.2896 8 T 4.1444 8.1148 115.0739 62.1749 67.0902 173.9841 9 A 4.1696 8.1636 129.3836 52.0792 18.9941 177.7376 10 C 4.8493 8.4961 119.6948 55.3538 44.2375 174.8761 11 C 4.6930 8.7948 121.8041 56.9833 39.0032 173.3652 12 F 4.1384 8.5980 123.1926 57.6285 39.5699 176.7677 13 S 3.9086 7.6684 113.1432 58.0025 66.4376 174.5527 14 Y 5.0067 7.0902 123.7863 56.8561 40.2804 174.4159 15 T 4.5934 7.8359 113.9858 61.1591 69.3061 175.3542 16 S 4.3832 8.5802 119.7181 61.3202 63.2395 175.4086 17 R 4.0648 7.7297 118.2059 55.6723 30.4004 177.3000 18 Q 3.4314 8.0179 122.4855 54.9700 29.7778 175.6217 19 I 4.1331 5.8574 111.6361 58.5345 38.4864 172.9505 20 P 5.0706 0.0000 0.0000 62.1857 31.9396 177.2601 21 Q 3.6131 7.6557 114.4515 56.4697 28.1189 176.7556 22 N 4.4004 7.0964 118.6351 55.2540 39.5643 175.9123 23 F 4.8580 6.3886 115.0506 58.1235 40.8952 175.9317 24 I 4.2869 7.1170 119.8069 61.7637 37.6852 174.3004 25 A 4.7143 8.5583 122.8970 53.1563 26.3000 175.8257 26 A 5.1179 7.2006 115.9129 53.2078 21.9297 174.7153 27 Y 4.5356 7.1742 112.3417 57.8574 40.0453 172.4794 28 F 4.4981 7.9885 115.1526 56.0749 43.9057 175.0296 29 E 4.6235 8.6397 121.2588 55.8679 29.7263 176.5373 30 T 3.1446 7.5354 112.0849 63.3596 68.6195 171.4560 31 S 4.5019 8.4956 116.0577 57.7239 67.3504 174.4904 32 S 4.3800 8.2185 116.9514 59.6151 64.1087 175.1574 33 Q 3.5112 8.6469 120.4626 56.7658 26.8541 172.8792 34 C 5.4174 7.7861 110.2079 56.2088 43.7068 173.5053 35 S 3.9095 7.6747 115.6155 58.8678 61.6836 172.4252 36 K 4.4820 8.1476 125.5126 53.6207 33.5828 175.0184 37 P 4.2481 0.0000 0.0000 65.0717 32.0188 177.5542 38 G 3.9792 7.6310 106.4558 44.9754 0.0000 171.2495 39 V 4.6701 7.8493 110.8282 59.4320 36.0854 175.2290 40 I 4.6643 8.4283 123.2311 60.5106 39.6259 175.1699 41 F 5.2535 8.7373 122.9493 55.7248 43.1438 174.6294 42 L 5.1174 8.5007 115.6677 53.7978 42.1957 177.1863 43 T 4.8299 7.8711 108.8344 61.0223 68.9986 174.5316 44 K 4.2616 8.7038 118.5635 58.7793 32.5173 177.3759 45 R 4.4629 7.8396 116.9731 56.0834 30.0106 176.1973 46 S 3.7763 8.0442 110.8893 59.5505 60.5337 172.8861 47 R 4.5161 7.8651 119.8546 53.8131 30.0443 175.8529 48 Q 4.8323 8.5302 119.9900 56.0591 29.2495 177.2258 49 V 4.3619 8.3302 116.4180 61.6838 32.9414 176.4716 50 C 4.9957 8.8460 116.9429 56.7493 40.3523 171.6229 51 A 4.9868 7.9424 117.2256 51.1537 21.7967 175.9721 52 D 4.2270 9.0944 121.8201 53.5673 42.0670 174.6297 53 P 4.1121 0.0000 0.0000 62.7511 31.8030 176.4170 54 S 3.6092 8.4584 122.0633 59.5097 59.8875 172.0216 55 E 3.7909 7.5910 119.3526 55.9795 30.4408 176.3254 56 E 3.7510 8.6748 125.3454 59.4413 29.7752 179.1935 57 W 3.9310 7.9776 115.9231 59.3139 28.1432 178.0941 58 V 2.9332 5.9841 118.5257 65.7755 30.9192 178.1344 59 Q 3.5832 7.7325 117.7179 58.6193 28.2996 180.1376 60 K 3.9082 6.8745 119.5078 59.8585 32.4202 178.3287 61 Y 4.3862 7.4093 117.3402 61.1329 37.7585 178.4223 62 V 2.7515 7.5998 117.8238 64.6407 31.6448 177.4127 63 S 4.0833 7.0978 112.6489 62.6929 62.2922 174.4659 64 D 3.9581 7.2877 115.8585 56.9029 41.1089 177.1450 65 L 4.4862 7.5688 130.3167 53.6084 41.7798 176.3639 66 E 4.1860 8.1976 127.0012 54.0014 28.2830 174.2208 67 L 4.3029 8.1943 128.3038 54.6694 41.9019 174.8100 68 S 4.2516 7.6831 111.1561 58.2285 63.6422 173.7507 69 A 4.1461 8.3160 125.8682 52.7404 18.7367 175.7338 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 S 8.19 4.45 0.00 3.90 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.93 3.82 0.00 1.68 1.70 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 3 A 7.42 4.30 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 4 A 7.67 4.33 1.24 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 0.00 0.00 0.00 5 D 7.71 4.54 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.45 3.41 4.17 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 0.00 0.00 0.00 1.13 0.00 0.00 7 P 0.00 4.50 0.00 2.16 2.08 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 8 T 8.11 4.14 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 1.25 0.00 0.00 9 A 8.16 4.17 1.13 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 0.00 0.00 0.00 10 C 8.50 4.85 0.00 3.14 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 11 C 8.79 4.69 0.00 3.03 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.60 4.14 0.00 3.09 3.11 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 13 S 7.67 3.91 0.00 3.81 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 14 Y 7.09 5.01 0.00 3.19 3.05 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 15 T 7.84 4.59 4.35 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 0.00 0.00 0.00 1.30 0.00 0.00 16 S 8.58 4.38 0.00 3.94 3.92 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 0.00 0.00 0.00 17 R 7.73 4.06 0.00 1.78 1.83 0.00 3.20 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 18 Q 8.02 3.43 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 7.19 0.00 0.00 0.00 0.00 0.00 1.96 1.48 0.00 19 I 5.86 4.13 1.70 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.81 0.99 0.00 0.00 20 P 0.00 5.07 0.00 1.89 2.12 0.00 3.12 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.69 0.00 21 Q 7.66 3.61 0.00 1.72 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.96 0.00 0.00 0.00 0.00 0.00 1.16 1.84 0.00 22 N 7.10 4.40 0.00 2.33 2.72 0.00 0.00 6.92 6.65 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 23 F 6.39 4.86 0.00 3.12 2.92 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 0.00 0.00 0.00 24 I 7.12 4.29 1.76 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.30 0.83 0.00 0.00 25 A 8.56 4.71 1.29 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 0.00 0.00 0.00 26 A 7.20 5.12 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.17 4.54 0.00 2.58 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 28 F 7.99 4.50 0.00 2.93 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 29 E 8.64 4.62 0.00 2.04 1.97 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 2.23 2.41 0.00 30 T 7.54 3.14 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 1.16 0.00 0.00 31 S 8.50 4.50 0.00 4.09 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 32 S 8.22 4.38 0.00 3.88 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 33 Q 8.65 3.51 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.68 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 34 C 7.79 5.42 0.00 3.12 3.30 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 35 S 7.67 3.91 0.00 3.83 3.85 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 36 K 8.15 4.48 0.00 1.72 1.60 0.00 0.97 0.00 0.00 1.48 0.00 0.00 2.99 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.37 1.15 7.81 37 P 0.00 4.25 0.00 2.12 2.08 0.00 3.77 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 38 G 7.63 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.85 4.67 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 0.53 0.00 0.00 0.50 0.00 0.00 40 I 8.43 4.66 1.98 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 1.47 0.88 1.10 0.00 0.00 41 F 8.74 5.25 0.00 3.28 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 42 L 8.50 5.12 0.00 1.62 1.68 1.23 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.87 4.83 4.41 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 0.00 0.00 0.00 1.43 0.00 0.00 44 K 8.70 4.26 0.00 1.81 1.95 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.60 1.48 7.81 45 R 7.84 4.46 0.00 1.86 1.95 0.00 3.47 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 46 S 8.04 3.78 0.00 3.98 3.93 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 0.00 0.00 0.00 47 R 7.87 4.52 0.00 1.90 1.94 0.00 3.28 0.00 0.00 3.31 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 48 Q 8.53 4.83 0.00 2.32 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.07 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 49 V 8.33 4.36 2.33 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 1.11 0.00 0.00 1.13 0.00 0.00 50 C 8.85 5.00 0.00 3.52 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 51 A 7.94 4.99 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 52 D 9.09 4.23 0.00 2.88 2.60 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 0.00 53 P 0.00 4.11 0.00 1.98 1.98 0.00 3.80 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 54 S 8.46 3.61 0.00 3.94 3.92 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 0.00 0.00 0.00 55 E 7.59 3.79 0.00 1.16 1.12 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 2.19 2.25 0.00 56 E 8.67 3.75 0.00 1.99 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 0.00 2.27 2.40 0.00 57 W 7.98 3.93 0.00 3.49 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 58 V 5.98 2.93 1.47 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 0.93 0.00 0.00 -0.78 0.00 0.00 59 Q 7.73 3.58 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.50 0.00 0.00 0.00 0.00 0.00 2.16 2.38 0.00 60 K 6.87 3.91 0.00 1.73 1.73 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.25 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.86 1.77 7.81 61 Y 7.41 4.39 0.00 3.16 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 62 V 7.60 2.75 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 0.66 0.00 0.00 0.71 0.00 0.00 63 S 7.10 4.08 0.00 4.01 3.84 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 64 D 7.29 3.96 0.00 2.59 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 65 L 7.57 4.49 0.00 1.89 1.70 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.20 4.19 0.00 1.84 1.82 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 2.16 2.18 0.00 67 L 8.19 4.30 0.00 1.78 1.87 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.68 4.25 0.00 4.01 3.85 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 69 A 8.32 4.15 1.22 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 0.00 0.00