NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4708 8.3193 115.4168 58.2398 64.4598 173.4375 2 T 4.1808 8.6496 112.7180 60.3647 70.9755 174.3755 3 I 3.7538 8.4211 122.1054 64.5302 37.4574 179.1656 4 E 3.9130 8.2363 119.4709 59.5877 29.4173 178.5569 5 E 3.9919 8.2652 118.2164 59.6774 29.5568 179.7578 6 R 4.0498 8.3422 118.1497 59.0630 30.0556 179.3494 7 V 3.7255 8.2918 118.4632 66.1294 31.5430 178.2006 8 K 3.9775 8.2686 118.3301 59.3649 31.7724 179.2556 9 K 4.0912 8.2142 119.8718 59.6299 32.0959 179.0167 10 I 3.8973 7.9213 120.1347 64.3881 37.0259 178.4513 11 I 3.8711 8.2047 121.0241 64.2927 37.0617 178.6811 12 G 3.6588 8.3816 106.6497 47.9530 0.0000 175.5919 13 E 3.9977 8.4058 121.7310 58.9566 29.2576 179.2807 14 Q 3.9964 8.2710 118.7891 58.9360 29.3282 177.5345 15 L 4.4594 7.9616 116.4090 53.5029 42.4025 176.5490 16 G 3.9946 7.7268 105.9348 46.9325 0.0000 174.1497 17 V 4.4823 7.4613 111.2322 58.4430 34.5852 176.6309 18 K 4.2171 8.3609 122.6186 56.6115 33.5113 177.7960 19 Q 4.0428 8.8953 120.2542 59.2369 28.8095 179.2217 20 E 4.0545 8.1503 114.2732 58.9414 29.6701 177.6796 21 E 4.1328 8.0138 117.8626 57.8644 30.2752 177.5429 22 V 3.9721 7.2527 121.3363 61.5754 30.1464 175.2583 23 T 4.3646 7.2677 113.5599 60.3558 70.7642 176.4935 24 N 4.2838 8.6848 120.1423 56.2314 38.6519 176.4182 25 N 4.5711 7.9439 112.3449 52.8029 38.3714 175.0964 26 A 4.1501 7.6830 124.1528 52.2310 19.2246 176.5410 27 S 4.6970 9.3689 117.8793 57.0865 63.6678 174.8528 28 F 4.2390 8.4702 127.2647 60.9537 38.7918 178.0238 29 V 3.8065 8.0493 119.4813 66.0011 31.5880 177.7438 30 E 3.8668 8.1864 117.4727 58.1025 29.7244 177.2999 31 D 4.7226 8.1999 117.3433 55.1556 42.4154 177.1119 32 L 4.3944 7.9611 115.5671 53.8549 41.9867 176.5615 33 G 3.8778 7.7071 105.9221 46.1972 0.0000 173.8826 34 A 4.2234 8.1415 123.5020 51.7008 18.7902 179.1906 35 D 4.7731 9.3815 124.7314 52.3405 42.2953 177.4637 36 S 4.0916 8.4475 114.3103 61.8743 62.6325 176.6434 37 L 3.9708 7.9114 122.4794 58.0382 41.8986 178.2214 38 D 4.3702 8.7855 119.6395 57.8268 40.7654 179.1624 39 T 3.7613 7.8512 110.0051 64.6886 68.6959 176.7558 40 V 3.5086 7.4481 120.3648 65.8476 31.4937 177.9554 41 E 3.9796 8.4073 118.5383 59.1255 29.2715 179.0741 42 L 3.8705 8.2708 121.0433 57.8957 42.1119 179.1500 43 V 3.4760 7.8137 118.3050 66.3304 31.4888 177.9416 44 M 4.2972 8.2474 119.4865 57.7993 31.7679 178.6223 45 A 4.0152 8.2313 121.0918 55.2143 18.5196 179.7406 46 L 4.2590 8.1018 117.5023 57.8893 41.2157 179.5356 47 E 4.3933 8.3752 120.1446 58.6839 29.1173 179.0495 48 E 3.9193 8.0184 118.6411 59.3366 29.8843 178.1740 49 E 3.8326 7.9977 117.9298 58.3604 29.7524 177.7920 50 F 4.6009 8.1952 115.3417 55.7649 39.9108 175.3666 51 D 4.7982 7.8964 117.4846 54.9887 38.9294 173.8113 52 T 4.7057 7.4749 110.7505 60.6701 70.9307 171.5263 53 E 4.7834 8.7607 127.3323 54.6340 31.3416 175.0167 54 I 4.4304 8.4765 123.8445 58.2378 39.7321 174.1262 55 P 4.3187 0.0000 0.0000 62.8388 32.8363 176.9280 56 D 4.3295 8.8701 122.1970 57.6345 40.5289 179.0746 57 E 3.9721 8.0631 116.6630 59.5188 29.8148 178.7262 58 E 4.0741 7.9503 118.7262 58.9824 29.7534 178.7783 59 A 3.8128 8.0961 121.0273 55.0628 18.1378 179.1951 60 E 3.8838 8.0211 116.9385 58.8025 29.7141 178.2690 61 K 4.5048 7.6917 116.0153 55.8851 33.5327 177.5130 62 I 4.2173 7.4071 121.8119 60.4198 35.7449 175.3953 63 T 4.5009 8.0906 113.8099 62.1160 70.1071 175.2242 64 T 4.6129 7.3754 112.3588 58.8161 73.1637 174.5268 65 V 3.3668 7.6062 121.2063 66.3672 31.4256 178.1490 66 Q 3.8995 8.1653 118.8923 59.0821 28.8697 178.0006 67 A 4.0374 7.9924 121.5388 55.0482 18.4015 179.4977 68 A 4.0405 8.2054 119.1977 55.4582 18.4719 179.8464 69 I 3.6015 8.0074 118.5074 64.6864 37.1872 178.3710 70 D 4.3374 8.5299 120.0495 57.5572 40.6019 178.3148 71 Y 3.9441 8.2053 119.9462 60.7293 38.7280 178.1261 72 I 3.6894 8.0031 120.8005 64.4747 36.9370 178.2491 73 N 4.3694 8.2690 116.7565 56.0325 38.3768 177.3407 74 G 3.6275 8.0014 106.3997 46.5226 0.0000 174.0245 75 H 4.6702 7.6891 114.8247 54.9010 29.8964 173.9104 76 Q 4.0661 8.2754 122.0210 56.1558 29.4195 175.9754 77 A 4.3689 8.0973 126.5397 52.3285 19.1900 176.1052 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 8.32 4.47 0.00 4.19 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 2 T 8.65 4.18 4.26 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 1.23 0.00 0.00 3 I 8.42 3.75 1.86 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.15 0.77 0.00 0.00 4 E 8.24 3.91 0.00 2.03 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 2.39 2.42 0.00 5 E 8.27 3.99 0.00 2.26 2.02 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 2.35 2.38 0.00 6 R 8.34 4.05 0.00 2.12 2.18 0.00 3.19 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.84 0.00 7 V 8.29 3.73 2.14 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 1.15 0.00 0.00 0.69 0.00 0.00 8 K 8.27 3.98 0.00 1.95 1.88 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.60 7.81 9 K 8.21 4.09 0.00 1.96 2.00 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.51 7.81 10 I 7.92 3.90 2.12 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.76 0.97 0.00 0.00 11 I 8.20 3.87 2.14 0.00 0.00 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 1.70 1.06 1.13 0.00 0.00 12 G 8.38 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 0.00 0.00 0.00 13 E 8.41 4.00 0.00 2.04 2.02 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 2.35 2.70 0.00 14 Q 8.27 4.00 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 15 L 7.96 4.46 0.00 1.79 1.73 1.09 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 16 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 17 V 7.46 4.48 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 0.86 0.00 0.00 0.97 0.00 0.00 18 K 8.36 4.22 0.00 2.06 1.95 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.64 1.47 7.81 19 Q 8.90 4.04 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.93 0.00 0.00 0.00 0.00 0.00 2.47 2.33 0.00 20 E 8.15 4.05 0.00 2.07 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 2.28 2.28 0.00 21 E 8.01 4.13 0.00 2.18 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 0.00 2.33 2.24 0.00 22 V 7.25 3.97 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.01 0.00 0.00 23 T 7.27 4.36 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 1.19 0.00 0.00 24 N 8.68 4.28 0.00 2.82 3.06 0.00 0.00 6.59 6.92 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 25 N 7.94 4.57 0.00 2.76 2.89 0.00 0.00 5.99 7.26 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 26 A 7.68 4.15 1.25 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 0.00 0.00 0.00 27 S 9.37 4.70 0.00 3.75 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 28 F 8.47 4.24 0.00 3.24 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 29 V 8.05 3.81 2.13 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 1.02 0.00 0.00 1.04 0.00 0.00 30 E 8.19 3.87 0.00 2.01 1.99 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 2.35 2.29 0.00 31 D 8.20 4.72 0.00 2.75 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 32 L 7.96 4.39 0.00 1.92 1.76 0.98 0.90 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 33 G 7.71 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 34 A 8.14 4.22 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 35 D 9.38 4.77 0.00 2.91 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 36 S 8.45 4.09 0.00 3.88 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.91 3.97 0.00 1.74 1.64 0.91 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.79 4.37 0.00 2.88 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 39 T 7.85 3.76 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 1.21 0.00 0.00 40 V 7.45 3.51 2.19 0.00 0.00 0.00 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 0.95 0.00 0.00 41 E 8.41 3.98 0.00 2.14 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 2.31 2.45 0.00 42 L 8.27 3.87 0.00 1.64 1.59 0.87 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.81 3.48 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.83 0.00 0.00 44 M 8.25 4.30 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.40 0.00 45 A 8.23 4.02 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 46 L 8.10 4.26 0.00 1.90 1.89 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.38 4.39 0.00 2.19 2.05 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 2.57 2.36 0.00 48 E 8.02 3.92 0.00 1.95 2.23 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 2.29 2.30 0.00 49 E 8.00 3.83 0.00 1.81 1.65 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 1.82 1.47 0.00 50 F 8.20 4.60 0.00 3.41 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 51 D 7.90 4.80 0.00 2.79 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 7.47 4.71 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 1.41 0.00 0.00 53 E 8.76 4.78 0.00 2.02 1.87 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 2.26 2.23 0.00 54 I 8.48 4.43 1.59 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 1.05 0.51 0.76 0.00 0.00 55 P 0.00 4.32 0.00 2.19 1.97 0.00 3.84 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.20 0.00 56 D 8.87 4.33 0.00 2.66 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 57 E 8.06 3.97 0.00 2.11 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 58 E 7.95 4.07 0.00 2.13 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 59 A 8.10 3.81 1.21 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 0.00 0.00 60 E 8.02 3.88 0.00 2.18 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 2.32 2.34 0.00 61 K 7.69 4.50 0.00 1.89 1.84 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.61 7.81 62 I 7.41 4.22 1.96 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 1.35 0.60 1.04 0.00 0.00 63 T 8.09 4.50 4.28 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 1.25 0.00 0.00 64 T 7.38 4.61 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 1.12 0.00 0.00 65 V 7.61 3.37 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 1.05 0.00 0.00 0.72 0.00 0.00 66 Q 8.17 3.90 0.00 2.33 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 67 A 7.99 4.04 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.21 4.04 1.60 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 0.00 0.00 69 I 8.01 3.60 2.01 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 1.50 0.80 0.88 0.00 0.00 70 D 8.53 4.34 0.00 2.87 2.74 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 71 Y 8.21 3.94 0.00 3.22 3.10 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 72 I 8.00 3.69 1.71 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.37 0.13 0.00 0.00 73 N 8.27 4.37 0.00 2.63 2.84 0.00 0.00 7.05 8.35 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 74 G 8.00 3.63 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 0.00 0.00 0.00 75 H 7.69 4.67 0.00 2.71 3.14 0.00 5.86 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.28 4.07 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 77 A 8.10 4.37 1.35 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 0.00 0.00 0.00