NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.7643 8.3431 109.6890 45.8056 0.0000 173.3945 3 G 3.6706 8.5687 104.2269 44.2617 0.0000 170.3316 4 Y 5.1142 9.3292 118.9608 56.1541 43.7720 173.2118 5 V 4.5835 8.6982 121.3348 61.3013 34.1439 173.9486 6 N 5.2164 9.2076 126.1884 51.9323 40.5013 173.9756 7 I 5.0401 9.2603 125.0595 59.3810 40.2827 174.3100 8 K 4.8303 9.3266 129.3539 54.7131 34.2999 174.9443 9 T 4.8711 8.7129 117.6905 60.0088 71.7446 173.0722 10 F 5.0651 8.4362 121.7576 55.7994 41.1373 175.9527 11 T 4.8972 8.9654 120.0285 64.0047 69.0678 173.2235 12 H 4.8196 8.3502 118.2507 53.8743 31.6768 171.3929 13 P 4.5854 0.0000 0.0000 63.3054 31.9905 176.5129 14 A 4.6841 8.4135 124.9904 51.7405 19.3111 174.5632 15 G 3.8492 8.2412 107.3602 44.0639 0.0000 172.8259 16 E 4.0079 8.5901 120.2894 57.3846 29.8663 176.8789 17 G 3.9318 9.0931 113.3734 45.7663 0.0000 172.0294 18 K 5.2076 7.6800 118.5612 54.7589 37.0782 174.5376 19 E 5.0547 8.7278 117.2543 55.9892 33.4717 174.3191 20 V 4.4673 8.1191 121.0096 61.1397 33.3917 174.9074 21 K 4.4949 8.6377 127.8808 55.8341 32.7223 177.3232 22 G 3.9928 9.1818 112.7925 46.1882 0.0000 172.3628 23 M 4.9762 8.8386 117.9724 53.6511 35.4942 173.3884 24 E 4.9577 8.4516 118.2985 54.3831 32.6827 175.9378 25 V 4.8227 9.0286 123.4452 60.3255 35.5747 173.9611 26 S 5.2057 9.2870 119.9998 56.8913 65.2855 173.1863 27 V 4.6401 8.5174 124.3063 60.0378 34.3374 172.9588 28 P 4.0050 0.0000 0.0000 62.9872 31.9965 176.9242 29 F 3.9388 8.9831 126.2777 61.6522 39.1412 177.4411 30 E 4.2907 8.2185 115.6065 58.3815 29.4144 178.6938 31 I 4.0398 7.3268 119.9005 63.9037 37.9151 177.0984 32 Y 3.7476 7.8602 120.7193 60.6524 38.3968 178.4040 33 S 4.0072 7.9976 113.2133 60.4818 63.0306 174.5065 34 N 4.6212 7.4146 116.4108 52.9326 39.0447 174.6210 35 E 4.3843 7.8444 118.8800 55.7332 32.0193 173.9557 36 H 4.9484 8.1689 121.1851 54.3354 31.2666 172.6934 37 R 4.3120 9.5005 124.3470 54.7183 30.7401 175.7569 38 I 4.2780 8.1199 126.9869 59.7500 36.9094 175.0249 39 A 3.9711 7.8768 128.4508 53.3089 19.0137 176.2324 40 D 4.5934 7.7699 112.7445 53.0321 41.9645 174.7028 41 A 4.7978 8.4321 119.8649 52.8766 19.7305 177.7260 42 H 5.1014 8.4203 117.2571 54.8584 26.7829 173.3254 43 Y 5.2893 7.4441 115.7104 56.3462 41.8636 175.8537 44 Q 4.5348 9.4431 118.6298 54.5007 33.2651 174.3880 45 T 5.7621 8.3061 112.6944 59.1632 72.1606 173.3449 46 F 4.8541 8.3197 120.5279 55.4624 43.2120 172.3021 47 P 5.1317 0.0000 0.0000 62.7909 32.2457 175.5403 48 S 4.6021 8.9083 116.3682 57.5788 66.1708 175.4963 49 E 3.8306 8.9448 120.1457 58.3054 29.5732 177.5585 50 K 4.6150 7.1551 115.3004 53.7585 35.2837 175.6994 51 A 3.4581 7.7096 124.1685 51.9738 18.2475 177.8871 52 A 3.9538 8.5517 126.9965 53.9517 18.8879 176.8530 53 Y 5.1003 7.1004 112.4443 56.2783 40.6748 176.2851 54 T 3.9372 8.7038 118.5888 67.2278 68.8063 175.1750 55 T 4.2446 7.8862 120.0603 63.1777 69.4800 173.6608 56 V 4.8335 8.2000 126.7974 60.6058 33.7081 175.3872 57 V 4.0773 8.9705 129.3532 63.8192 31.6184 175.4834 58 T 4.3439 8.8430 118.0242 63.2737 69.8746 174.7689 59 D 5.0168 7.6213 120.4233 49.7237 44.0706 175.8484 60 A 4.1045 8.5832 120.2672 55.5178 18.1748 179.6407 61 A 3.9912 8.0357 118.6548 55.2447 18.5360 179.2241 62 D 4.3252 8.6531 116.8164 57.1643 41.3169 178.3029 63 W 4.5860 8.3612 128.9947 60.6629 30.7830 177.9809 64 R 3.5652 8.0975 118.0225 59.5124 29.5275 179.1520 65 T 3.7513 7.6263 114.8695 66.7425 68.3154 177.0264 66 K 3.9957 7.6876 118.7027 59.2962 31.8932 178.7331 67 N 3.8296 7.8668 117.6804 56.1863 38.6723 176.8885 68 A 4.0737 7.7069 122.0266 55.0513 18.3686 179.4757 69 A 3.9871 7.8577 118.8266 55.0594 18.1719 179.4198 70 M 3.8997 7.1176 115.1217 56.9896 31.8525 176.7130 71 F 5.0136 7.4821 117.2778 57.4339 40.2106 174.8031 72 T 4.5296 7.5487 117.9665 61.1760 69.5453 173.1609 73 P 4.8543 0.0000 0.0000 62.8919 32.5633 175.5041 74 T 4.7542 8.7063 111.4493 59.4309 73.0597 171.0811 75 P 4.8689 0.0000 0.0000 62.1209 31.9090 177.2253 76 V 3.8540 8.2107 123.5571 62.2136 30.7478 176.0283 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 2 G 8.34 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 G 8.57 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 0.00 0.00 0.00 4 Y 9.33 5.11 0.00 2.86 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 8.70 4.58 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 0.21 0.00 0.00 0.80 0.00 0.00 6 N 9.21 5.22 0.00 2.54 2.20 0.00 0.00 6.37 7.36 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 7 I 9.26 5.04 1.99 0.00 0.00 0.54 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 0.58 1.06 0.00 0.00 8 K 9.33 4.83 0.00 1.74 1.52 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.51 0.99 7.81 9 T 8.71 4.87 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 10 F 8.44 5.07 0.00 3.07 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.97 4.90 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 1.29 0.00 0.00 12 H 8.35 4.82 0.00 3.13 3.29 0.00 5.67 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.59 0.00 2.09 2.05 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 14 A 8.41 4.68 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 15 G 8.24 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 0.00 0.00 0.00 16 E 8.59 4.01 0.00 1.94 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 2.30 2.32 0.00 17 G 9.09 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 0.00 0.00 0.00 18 K 7.68 5.21 0.00 1.84 1.75 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.51 7.81 19 E 8.73 5.05 0.00 2.05 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 2.13 2.17 0.00 20 V 8.12 4.47 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 0.97 0.00 0.00 0.95 0.00 0.00 21 K 8.64 4.49 0.00 1.65 1.70 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.42 7.81 22 G 9.18 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 23 M 8.84 4.98 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 24 E 8.45 4.96 0.00 1.34 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 1.47 1.87 0.00 25 V 9.03 4.82 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 0.96 0.00 0.00 1.06 0.00 0.00 26 S 9.29 5.21 0.00 3.67 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 27 V 8.52 4.64 1.64 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 0.42 0.00 0.00 0.19 0.00 0.00 28 P 0.00 4.01 0.00 2.02 1.75 0.00 3.64 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 29 F 8.98 3.94 0.00 3.05 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 30 E 8.22 4.29 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 31 I 7.33 4.04 1.95 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 1.54 0.87 0.99 0.00 0.00 32 Y 7.86 3.75 0.00 2.67 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 33 S 8.00 4.01 0.00 3.68 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 34 N 7.41 4.62 0.00 2.64 2.85 0.00 0.00 6.72 7.54 0.00 0.00 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 E 7.84 4.38 0.00 1.93 1.95 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 2.15 2.16 0.00 36 H 8.17 4.95 0.00 3.15 2.76 0.00 5.55 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 9.50 4.31 0.00 1.64 2.01 0.00 3.10 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.39 0.00 38 I 8.12 4.28 1.83 0.00 0.00 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 1.26 0.76 0.66 0.00 0.00 39 A 7.88 3.97 0.04 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 40 D 7.77 4.59 0.00 2.84 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 41 A 8.43 4.80 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 42 H 8.42 5.10 0.00 3.40 3.48 0.00 5.63 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 7.44 5.29 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.44 4.53 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.75 0.00 0.00 0.00 0.00 0.00 2.88 2.85 0.00 45 T 8.31 5.76 4.11 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 1.39 0.00 0.00 46 F 8.32 4.85 0.00 2.89 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 47 P 0.00 5.13 0.00 1.97 2.03 0.00 3.83 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 48 S 8.91 4.60 0.00 3.81 3.89 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 0.00 0.00 0.00 49 E 8.94 3.83 0.00 1.99 2.06 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 2.30 2.32 0.00 50 K 7.16 4.61 0.00 1.67 1.58 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.33 7.81 51 A 7.71 3.46 0.47 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 0.00 0.00 52 A 8.55 3.95 0.83 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 0.00 0.00 53 Y 7.10 5.10 0.00 2.95 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 54 T 8.70 3.94 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 1.22 0.00 0.00 55 T 7.89 4.24 4.45 0.00 0.00 0.00 0.00 0.00 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 56 V 8.20 4.83 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 0.93 0.00 0.00 57 V 8.97 4.08 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 0.97 0.00 0.00 1.15 0.00 0.00 58 T 8.84 4.34 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 1.26 0.00 0.00 59 D 7.62 5.02 0.00 2.91 2.82 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 60 A 8.58 4.10 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.04 3.99 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 62 D 8.65 4.33 0.00 2.98 2.98 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 63 W 8.36 4.59 0.00 3.45 3.26 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 64 R 8.10 3.57 0.00 2.01 1.86 0.00 3.11 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.82 0.00 65 T 7.63 3.75 4.43 0.00 0.00 0.00 0.00 0.00 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 66 K 7.69 4.00 0.00 2.00 2.01 0.00 1.91 0.00 0.00 1.73 0.00 0.00 3.24 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.77 7.81 67 N 7.87 3.83 0.00 1.44 1.97 0.00 0.00 7.03 8.13 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 68 A 7.71 4.07 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 69 A 7.86 3.99 1.31 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 70 M 7.12 3.90 0.00 1.14 1.08 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.38 0.00 71 F 7.48 5.01 0.00 3.01 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 72 T 7.55 4.53 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 73 P 0.00 4.85 0.00 1.94 1.98 0.00 3.66 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 74 T 8.71 4.75 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 1.20 0.00 0.00 75 P 0.00 4.87 0.00 1.95 2.03 0.00 3.69 0.00 0.00 3.70 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 76 V 8.21 3.85 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.98 0.00 0.00