NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 G 3.8789 8.3431 109.7363 45.5494 0.0000 172.2359 11 G 3.9725 8.1941 107.4849 41.9722 0.0000 170.4842 12 P 4.3418 0.0000 0.0000 63.1895 33.6118 174.1812 13 I 4.5762 8.3089 123.2970 59.8383 38.1171 174.9622 14 I 4.6941 8.1323 119.2907 59.1545 41.1656 174.1408 15 T 5.0482 8.4568 117.5945 60.6620 69.4760 173.3265 16 T 4.8535 8.6251 116.8409 60.1565 72.7496 172.5615 17 Q 5.0985 8.6414 120.8325 54.2808 32.3811 174.9486 18 V 4.6522 9.2644 122.3662 61.2737 35.4751 173.9913 19 T 5.6101 8.8170 115.8700 58.9586 71.3449 173.1284 20 I 4.6533 8.0331 116.6534 58.0899 41.3545 172.7644 21 P 5.2479 0.0000 0.0000 62.5235 31.7712 177.0244 22 K 3.7456 9.1668 125.8517 59.8622 31.9346 178.5350 23 D 3.8177 8.0304 117.0839 56.5598 40.9511 177.6761 24 L 3.9805 7.7089 117.9079 54.1688 42.5552 177.9004 25 A 4.0375 8.5640 123.2635 55.5052 18.2245 180.0036 26 G 3.6165 7.9675 103.5558 47.7091 0.0000 175.9757 27 S 4.2001 7.7398 115.4514 61.2326 63.3203 176.0044 28 I 4.0189 8.2538 122.8186 63.6098 37.5397 178.0469 29 I 3.8822 8.1346 121.3181 62.1591 36.9008 177.6711 30 G 4.3077 7.7405 103.6825 44.7116 0.0000 172.5616 31 K 4.0620 8.2990 119.4500 56.8175 32.7460 177.7594 32 G 3.8426 9.6689 111.7760 45.8719 0.0000 174.4810 33 G 3.9577 8.1920 108.1364 45.6205 0.0000 175.3836 34 Q 3.6672 8.0248 119.4427 58.7419 28.5027 178.8222 35 R 3.9472 7.8376 119.3712 59.2146 30.2754 178.0748 36 I 3.7321 7.4626 116.9706 63.6940 38.2399 177.5816 37 K 4.0843 8.8986 121.7228 59.3527 32.2156 178.3339 38 Q 4.0561 8.0389 119.4582 59.4343 28.8620 179.0034 39 I 3.7119 7.8786 120.6381 64.4848 37.3025 178.3539 40 R 4.1025 8.0362 117.4438 58.1430 29.5998 178.1546 41 H 4.4294 7.8044 115.8900 57.8848 29.4347 176.7867 42 E 3.9859 8.7197 120.3135 58.6720 29.5143 177.8731 43 S 4.5512 8.2151 111.8658 57.6966 63.1317 174.8846 44 G 4.1767 7.2878 104.9118 45.1200 0.0000 172.9899 45 A 4.6943 7.1726 121.2006 51.0125 20.5191 177.5961 46 S 4.8747 8.1916 113.4242 57.1011 65.8352 173.9796 47 I 5.0417 8.1255 122.5272 59.6395 40.9133 174.3655 48 K 4.6271 9.3311 128.1896 54.5343 35.2784 174.5288 49 I 4.9992 8.0963 127.0559 58.4414 39.2491 175.3359 50 D 4.6087 8.7984 126.7238 53.8617 41.7146 176.2210 51 E 3.9800 8.7358 119.5085 56.0614 29.9980 175.6863 52 P 4.2300 0.0000 0.0000 63.2021 31.9439 175.8303 53 L 4.3961 8.3057 121.8206 53.9732 42.5928 176.0051 54 E 4.5478 8.6704 122.0234 55.9008 31.5350 177.0844 55 G 3.9958 9.2869 110.1934 45.5039 0.0000 173.0183 56 S 4.6996 7.3578 112.3592 56.5973 65.7925 173.2333 57 E 4.8275 8.4556 123.3638 55.8001 30.2972 175.1821 58 D 5.1939 7.9086 117.5424 53.1030 45.9963 175.4293 59 R 4.8973 8.8053 121.1674 54.6723 33.6348 174.8953 60 I 4.6812 8.1125 121.1870 59.8498 39.6067 174.6169 61 I 4.5303 9.0857 128.2935 59.7380 39.9615 174.6106 62 T 4.9426 9.2940 123.8639 61.8696 71.1593 173.3775 63 I 4.9577 8.8386 127.2815 60.0262 40.2032 175.2228 64 T 4.6060 8.3620 121.6637 62.8336 72.9193 173.6069 65 G 4.1675 7.6736 113.0063 46.5478 0.0000 172.0523 66 T 5.0118 7.7323 108.9177 60.5339 69.3827 175.1205 67 Q 3.9087 8.8294 123.4007 59.6518 28.7160 178.4294 68 D 4.4637 8.1172 118.2252 57.6049 41.2576 178.2671 69 Q 3.9807 7.6666 117.5945 59.0679 28.6475 178.9089 70 I 3.7238 7.9829 120.9679 64.2778 37.2055 178.1111 71 Q 4.2047 9.2215 121.0750 59.5336 28.5934 178.1943 72 N 4.3731 8.9848 118.0072 56.1473 38.5760 177.4671 73 A 4.0301 8.5208 122.4498 55.3541 18.6356 179.6217 74 Q 3.9698 8.8917 117.7562 59.3635 28.7753 178.5484 75 Y 4.0033 8.0486 120.2665 60.7656 38.8831 178.2840 76 L 4.0433 7.8672 119.5370 57.4920 41.5200 179.4368 77 L 3.9137 7.8894 119.0004 57.9591 41.4259 179.3395 78 Q 3.8733 7.6205 117.8386 59.0654 29.1571 177.3088 79 N 4.2174 7.7988 118.0960 56.7473 38.9028 176.8735 80 S 4.0828 7.8732 116.2053 61.6864 63.0083 176.7345 81 V 3.6935 7.4679 120.2443 65.2152 30.8824 177.8266 82 K 3.9832 7.8655 118.8356 59.9180 32.1503 177.8385 83 Q 4.1295 8.0648 117.4487 58.9316 29.0078 176.8538 84 Y 4.0873 8.1410 117.7655 60.5841 39.0808 175.8806 85 S 4.2944 7.6326 118.6759 58.8043 62.8161 173.8520 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 10 G 8.34 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.19 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 0.00 0.00 0.00 12 P 0.00 4.34 0.00 2.08 2.00 0.00 3.56 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 13 I 8.31 4.58 1.87 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 1.40 0.83 0.91 0.00 0.00 14 I 8.13 4.69 1.87 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 1.11 0.97 0.91 0.00 0.00 15 T 8.46 5.05 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 1.21 0.00 0.00 16 T 8.63 4.85 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 1.21 0.00 0.00 17 Q 8.64 5.10 0.00 1.90 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 18 V 9.26 4.65 2.07 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 0.98 0.00 0.00 0.93 0.00 0.00 19 T 8.82 5.61 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 1.20 0.00 0.00 20 I 8.03 4.65 1.82 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 1.31 0.84 0.88 0.00 0.00 21 P 0.00 5.25 0.00 1.99 1.99 0.00 3.83 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 2.06 1.91 0.00 22 K 9.17 3.75 0.00 1.74 1.77 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.46 7.81 23 D 8.03 3.82 0.00 2.52 2.46 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 24 L 7.71 3.98 0.00 1.59 1.48 0.84 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.56 4.04 1.32 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 26 G 7.97 3.62 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 0.00 0.00 0.00 27 S 7.74 4.20 0.00 4.20 3.95 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 28 I 8.25 4.02 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.63 0.89 0.00 0.00 29 I 8.13 3.88 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.98 0.91 0.00 0.00 30 G 7.74 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 0.00 0.00 0.00 0.00 31 K 8.30 4.06 0.00 1.81 1.68 0.00 1.88 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.44 7.81 32 G 9.67 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 0.00 0.00 0.00 33 G 8.19 3.96 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 0.00 0.00 0.00 34 Q 8.02 3.67 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.84 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 35 R 7.84 3.95 0.00 1.93 2.13 0.00 3.24 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.74 0.00 36 I 7.46 3.73 1.87 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 1.40 0.93 0.95 0.00 0.00 37 K 8.90 4.08 0.00 1.89 1.84 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.57 7.81 38 Q 8.04 4.06 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 39 I 7.88 3.71 2.10 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.79 0.92 0.00 0.00 40 R 8.04 4.10 0.00 1.92 2.00 0.00 3.08 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 41 H 7.80 4.43 0.00 3.32 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.72 3.99 0.00 2.10 2.00 0.00 0.00 0.00 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 2.33 0.00 43 S 8.22 4.55 0.00 3.93 4.09 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 44 G 7.29 4.18 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 0.00 45 A 7.17 4.69 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 S 8.19 4.87 0.00 3.94 3.74 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 47 I 8.13 5.04 1.86 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 1.22 0.57 0.90 0.00 0.00 48 K 9.33 4.63 0.00 1.75 1.60 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.37 7.81 49 I 8.10 5.00 1.86 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 1.35 1.61 0.99 0.00 0.00 50 D 8.80 4.61 0.00 2.53 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 51 E 8.74 3.98 0.00 1.95 1.90 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 2.32 2.35 0.00 52 P 0.00 4.23 0.00 2.02 2.00 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 53 L 8.31 4.40 0.00 1.73 1.58 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.67 4.55 0.00 2.00 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 2.30 2.26 0.00 55 G 9.29 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.36 4.70 0.00 3.63 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 57 E 8.46 4.83 0.00 1.93 1.89 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 2.29 2.30 0.00 58 D 7.91 5.19 0.00 2.52 2.47 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 0.00 0.00 0.00 0.00 59 R 8.81 4.90 0.00 1.73 1.79 0.00 3.06 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 60 I 8.11 4.68 1.86 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 1.33 0.75 0.90 0.00 0.00 61 I 9.09 4.53 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.76 0.90 0.00 0.00 62 T 9.29 4.94 4.34 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 1.25 0.00 0.00 63 I 8.84 4.96 1.87 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 1.23 1.25 0.94 0.00 0.00 64 T 8.36 4.61 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 1.21 0.00 0.00 65 G 7.67 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 0.00 0.00 0.00 0.00 66 T 7.73 5.01 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 1.28 0.00 0.00 67 Q 8.83 3.91 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 68 D 8.12 4.46 0.00 2.82 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 69 Q 7.67 3.98 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.57 0.00 0.00 0.00 0.00 0.00 2.52 2.40 0.00 70 I 7.98 3.72 2.00 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 1.41 1.08 0.92 0.00 0.00 71 Q 9.22 4.20 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 72 N 8.98 4.37 0.00 2.90 2.88 0.00 0.00 7.03 5.12 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 73 A 8.52 4.03 1.38 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 0.00 0.00 0.00 74 Q 8.89 3.97 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 75 Y 8.05 4.00 0.00 3.15 3.02 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 0.00 76 L 7.87 4.04 0.00 1.92 1.73 1.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.89 3.91 0.00 1.81 1.68 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 7.62 3.87 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.91 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 79 N 7.80 4.22 0.00 2.68 2.77 0.00 0.00 7.24 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 80 S 7.87 4.08 0.00 4.12 3.90 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 81 V 7.47 3.69 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 1.00 0.00 0.00 0.89 0.00 0.00 82 K 7.87 3.98 0.00 1.77 1.90 0.00 1.83 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.46 7.81 83 Q 8.06 4.13 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 84 Y 8.14 4.09 0.00 2.94 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 85 S 7.63 4.29 0.00 4.05 3.79 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