NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3211 8.0427 122.7475 55.0169 44.1564 174.9609 2 Q 4.9402 8.2760 124.7675 52.5000 32.5671 172.2457 3 I 4.5561 9.1656 119.4510 59.1383 42.2983 173.2588 4 F 5.2699 8.4182 121.2036 55.9043 41.7182 175.1288 5 V 4.8236 8.5562 122.3961 61.0563 34.0464 174.4777 6 K 4.6754 8.9439 128.9777 55.9528 33.3065 177.2796 7 T 4.5620 8.4550 115.2152 60.2309 70.2288 175.3077 8 L 3.9354 8.6643 124.5513 58.5872 42.0243 178.4603 9 T 3.8932 7.3039 106.8670 63.4590 68.5486 174.6136 10 G 4.1037 8.0931 109.5268 45.1161 0.0000 174.2872 11 K 4.1116 8.7121 119.7368 57.1219 33.1684 175.6324 12 T 5.1460 8.3645 118.2470 61.7686 70.8067 173.5773 13 I 4.6682 8.2444 119.6494 58.9778 39.9546 175.2828 14 T 4.5936 8.7377 117.4993 61.5848 69.9988 173.7386 15 L 4.7309 8.6190 123.1266 52.9224 45.6359 175.1491 16 E 4.6795 8.8232 125.1085 55.6729 30.1224 175.8158 17 V 4.6640 8.2560 120.0072 59.4184 35.3464 175.8682 18 E 4.2459 9.2202 123.7953 55.3365 30.4826 176.5761 19 P 4.2600 0.0000 0.0000 65.5093 31.7539 177.8156 20 S 4.6196 7.8827 113.1693 58.2053 63.1155 173.6843 21 D 4.4654 7.7358 122.4207 54.2910 41.2258 176.5772 22 T 4.6211 8.2236 113.8511 61.2905 71.2066 175.8307 23 I 3.7414 8.1753 121.9782 64.3215 36.7109 178.6656 24 E 3.9412 8.1831 119.1161 59.6360 29.3903 178.7189 25 N 4.2912 8.1678 116.3032 56.4293 38.6164 177.6190 26 V 3.5225 7.7493 119.2553 66.0385 31.7187 178.1531 27 K 4.6950 8.6639 119.7409 59.0667 31.8546 179.1767 28 A 4.3240 8.8136 121.0389 54.6204 18.2378 179.8677 29 K 3.9771 7.9786 117.6665 59.4933 32.0645 179.6541 30 I 3.7042 8.0482 120.1839 64.5361 37.0236 178.2079 31 Q 3.8478 8.4354 121.0397 59.8923 28.7199 178.6150 32 D 4.3718 7.6399 118.1540 57.5867 40.9009 178.7087 33 K 4.1538 8.3975 120.6612 58.4255 32.2974 178.2507 34 E 4.5125 8.4995 117.0781 58.0206 31.6795 178.1135 35 G 4.3157 8.4106 105.0684 47.3801 0.0000 174.2257 36 I 4.3079 7.4034 119.2928 58.2253 38.9989 174.4080 37 P 4.1927 0.0000 0.0000 62.6211 31.8525 175.8046 38 P 3.8166 0.0000 0.0000 65.9054 31.5898 178.1754 39 D 4.4008 8.0841 116.8540 57.1805 41.0726 177.2590 40 Q 4.2473 8.9326 117.7113 56.9623 29.5251 175.4213 41 Q 4.6306 7.6983 118.2612 55.3299 30.4267 175.0414 42 R 4.8181 9.0972 123.5761 54.6690 33.1648 173.8894 43 L 5.1278 8.5072 126.1430 53.4994 44.2950 175.5806 44 I 5.0880 8.7112 122.5019 59.5263 41.1118 174.3954 45 F 5.0502 9.1307 127.8645 56.6209 41.9339 174.7960 46 A 3.4622 9.2370 131.0178 53.0752 15.8113 177.7730 47 G 4.0517 7.9802 110.5068 45.8475 0.0000 173.6825 48 K 4.0123 7.8191 120.1753 55.8577 32.0630 175.8827 49 Q 4.5316 8.5718 126.4150 55.9765 29.2766 175.7556 50 L 3.7716 8.3549 127.4238 54.6041 42.8153 176.3659 51 E 4.7344 8.7736 121.6850 54.5529 31.9302 175.2142 52 D 4.5119 8.1194 122.6398 55.6526 41.7291 175.3182 53 G 4.2910 9.4330 111.8526 45.9571 0.0000 174.5747 54 R 4.1046 7.5948 116.9226 55.9398 31.0245 176.0065 55 T 4.9831 8.1212 110.0818 59.7207 71.3564 175.4885 56 L 3.9950 8.5505 122.9847 58.2187 41.9590 180.5155 57 S 4.1439 7.7869 111.5833 61.2399 63.3065 176.1100 58 D 4.1928 7.9288 120.1895 57.4760 40.4824 176.9212 59 Y 4.4980 7.8668 113.0125 57.2559 37.9477 174.5846 60 N 4.2070 8.0005 117.2263 54.5261 37.9667 174.1356 61 I 3.7618 7.7213 117.0383 60.4140 38.3219 175.6661 62 Q 4.6327 8.8510 123.6580 53.2519 32.6020 174.2834 63 K 3.9916 8.5947 116.8634 59.3063 32.3224 176.1126 64 E 3.6601 8.9752 120.7214 57.4757 27.7938 174.6550 65 S 4.7027 7.7738 114.3031 58.6352 64.5265 173.3044 66 T 5.1535 8.7038 119.5352 62.1503 70.0960 173.8421 67 L 4.9875 8.9840 126.8494 53.5036 44.4612 175.1096 68 H 5.0856 9.0575 120.7977 54.3300 30.5093 173.9106 69 L 4.7826 8.5912 126.6226 54.5690 42.8157 176.2421 70 V 4.6455 8.9094 118.5106 59.7860 36.4127 174.7443 71 L 4.9519 8.4698 122.2393 54.1246 43.5691 176.8609 72 R 4.3561 8.3866 119.8168 54.7003 31.7047 176.3448 73 L 3.9576 8.5125 122.8451 55.1718 41.9245 174.9439 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 L 8.04 4.32 0.00 1.75 1.72 0.91 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 2 Q 8.28 4.94 0.00 2.09 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.62 0.00 0.00 0.00 0.00 0.00 1.89 2.25 0.00 3 I 9.17 4.56 1.89 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.58 0.81 0.00 0.00 4 F 8.42 5.27 0.00 3.11 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 5 V 8.56 4.82 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 0.99 0.00 0.00 0.92 0.00 0.00 6 K 8.94 4.68 0.00 1.55 1.74 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.45 7.81 7 T 8.45 4.56 4.25 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 0.00 0.00 0.00 1.26 0.00 0.00 8 L 8.66 3.94 0.00 1.63 1.78 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.30 3.89 4.25 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 0.00 0.00 0.00 1.22 0.00 0.00 10 G 8.09 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 0.00 0.00 0.00 11 K 8.71 4.11 0.00 1.91 1.96 0.00 1.28 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.42 7.81 12 T 8.36 5.15 4.23 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 1.21 0.00 0.00 13 I 8.24 4.67 1.89 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 1.38 1.05 0.93 0.00 0.00 14 T 8.74 4.59 4.29 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 1.42 0.00 0.00 15 L 8.62 4.73 0.00 1.66 1.48 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.82 4.68 0.00 1.92 1.83 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 2.24 2.36 0.00 17 V 8.26 4.66 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 0.68 0.00 0.00 0.90 0.00 0.00 18 E 9.22 4.25 0.00 2.01 1.84 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 2.31 2.22 0.00 19 P 0.00 4.26 0.00 2.20 2.28 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 20 S 7.88 4.62 0.00 3.86 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 21 D 7.74 4.47 0.00 2.80 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.22 4.62 4.37 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 1.22 0.00 0.00 23 I 8.18 3.74 1.99 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 1.92 0.97 0.88 0.00 0.00 24 E 8.18 3.94 0.00 2.05 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 2.41 2.62 0.00 25 N 8.17 4.29 0.00 3.00 2.87 0.00 0.00 6.74 6.96 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 26 V 7.75 3.52 2.20 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 0.99 0.00 0.00 0.93 0.00 0.00 27 K 8.66 4.69 0.00 1.94 1.86 0.00 1.83 0.00 0.00 1.92 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.49 7.81 28 A 8.81 4.32 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 29 K 7.98 3.98 0.00 2.02 1.85 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.60 7.81 30 I 8.05 3.70 2.17 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 0.66 0.95 0.00 0.00 31 Q 8.44 3.85 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 32 D 7.64 4.37 0.00 2.91 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.40 4.15 0.00 1.74 1.87 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.47 7.81 34 E 8.50 4.51 0.00 2.00 1.96 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 2.25 2.43 0.00 35 G 8.41 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 36 I 7.40 4.31 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 1.42 0.72 0.91 0.00 0.00 37 P 0.00 4.19 0.00 2.17 2.02 0.00 3.74 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.14 0.00 38 P 0.00 3.82 0.00 2.17 2.13 0.00 3.60 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 39 D 8.08 4.40 0.00 2.67 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.93 4.25 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.99 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 41 Q 7.70 4.63 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 42 R 9.10 4.82 0.00 1.81 1.95 0.00 3.08 0.00 0.00 3.35 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 43 L 8.51 5.13 0.00 1.59 1.52 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.71 5.09 1.93 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 1.30 1.06 0.95 0.00 0.00 45 F 9.13 5.05 0.00 2.74 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 46 A 9.24 3.46 0.80 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 0.00 0.00 47 G 7.98 4.05 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 0.00 0.00 0.00 48 K 7.82 4.01 0.00 1.99 1.82 0.00 1.83 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.53 7.81 49 Q 8.57 4.53 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.99 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 50 L 8.35 3.77 0.00 1.39 1.09 0.71 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.77 4.73 0.00 2.10 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 2.30 2.39 0.00 52 D 8.12 4.51 0.00 2.69 2.65 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 53 G 9.43 4.29 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 0.00 54 R 7.59 4.10 0.00 2.12 1.59 0.00 3.17 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 55 T 8.12 4.98 4.33 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 1.28 0.00 0.00 56 L 8.55 3.99 0.00 1.91 1.73 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.79 4.14 0.00 4.06 4.23 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 58 D 7.93 4.19 0.00 2.57 2.39 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 59 Y 7.87 4.50 0.00 2.95 3.13 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 60 N 8.00 4.21 0.00 2.92 3.04 0.00 0.00 7.10 7.52 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 61 I 7.72 3.76 1.63 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.06 0.54 0.00 0.00 62 Q 8.85 4.63 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.89 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 63 K 8.59 3.99 0.00 1.83 1.83 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.51 7.81 64 E 8.98 3.66 0.00 2.19 2.37 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 2.47 2.23 0.00 65 S 7.77 4.70 0.00 3.78 3.82 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 0.00 0.00 0.00 66 T 8.70 5.15 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 1.22 0.00 0.00 67 L 8.98 4.99 0.00 1.55 1.56 0.82 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.06 5.09 0.00 3.10 3.24 0.00 5.61 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.59 4.78 0.00 1.65 1.70 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.91 4.65 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 0.72 0.00 0.00 1.01 0.00 0.00 71 L 8.47 4.95 0.00 1.53 1.59 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.39 4.36 0.00 1.66 1.86 0.00 3.37 0.00 0.00 3.48 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 73 L 8.51 3.96 0.00 1.75 1.61 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00