NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3789 8.3044 120.3488 55.4531 33.3893 174.4610 2 D 4.6594 8.5168 124.9957 51.6838 43.2267 169.9101 3 V 4.3158 8.8721 123.8720 60.9652 34.8048 174.1772 4 E 4.6430 8.7910 126.2836 53.7217 31.2968 173.5184 5 P 4.4216 0.0000 0.0000 66.0692 31.0894 176.1738 6 G 3.9832 8.6187 111.5941 44.9003 0.0000 172.9790 7 K 4.5734 8.0186 119.3760 55.2516 34.6217 175.3746 8 F 4.8260 8.6011 120.3238 56.7132 40.2083 175.1702 9 Y 4.9243 8.9305 119.7768 56.5177 42.8145 173.6828 10 K 4.8151 8.8371 123.0707 55.2156 33.9953 175.5122 11 G 4.3305 8.9861 113.0446 44.5083 0.0000 171.1251 12 V 4.9952 8.1325 119.3442 59.4089 34.2213 175.3037 13 V 4.1393 8.4553 125.2048 63.5359 31.9059 176.2969 14 T 4.2885 9.1211 119.7213 63.8359 69.4277 175.2652 15 R 4.7030 7.7758 117.3133 54.4284 33.0876 174.0186 16 I 4.3513 8.3068 122.0986 60.2120 37.6485 175.5668 17 E 4.3573 8.6089 125.8990 54.8758 30.7298 177.2400 18 K 4.4169 8.2362 118.4518 57.3946 32.0595 177.2472 19 Y 4.7520 7.9125 114.5245 55.1580 39.2252 175.3825 20 G 3.9218 6.0313 108.5938 44.6181 0.0000 171.1128 21 A 5.0049 8.1887 121.4646 49.8713 21.9809 175.7369 22 F 4.8278 8.7570 121.9653 57.3450 40.2674 174.7792 23 I 5.1100 9.1939 124.7837 59.5881 40.7089 174.2728 24 N 5.1620 8.9353 123.8871 52.4285 39.6003 175.9811 25 L 4.2293 8.8572 123.4615 56.0027 43.1653 175.9614 26 N 4.9284 7.6620 114.4808 51.6376 42.2610 174.2090 27 E 3.8837 8.7815 121.9554 59.2368 29.4187 178.1399 28 Q 4.5441 8.0226 113.4422 55.2408 29.4609 175.0026 29 V 4.3958 8.0688 119.5607 61.2090 33.7722 174.4055 30 R 5.2150 8.6120 127.4951 55.1164 34.2570 174.1696 31 G 4.0340 9.3788 109.8726 45.1632 0.0000 170.2850 32 L 4.7736 8.2586 121.4374 52.8699 44.9930 175.5976 33 L 4.9339 8.9126 128.8709 53.7300 43.8817 175.3038 34 R 4.8143 8.4189 125.7392 54.1551 32.0177 176.1534 35 P 4.2519 0.0000 0.0000 65.9317 31.5749 178.6620 36 R 4.0904 7.9072 116.0615 58.0466 30.3595 176.6389 37 D 4.7114 8.0518 116.7271 54.5058 41.2805 175.5679 38 M 4.7408 7.6305 119.8131 53.9276 32.8635 174.7276 39 I 4.1228 7.6068 122.7619 62.7005 38.6515 176.9713 40 S 4.2956 7.9990 121.8329 60.3531 63.8666 174.7577 41 L 4.4462 6.6741 119.4412 52.8375 43.1189 175.8448 42 R 4.5876 7.9792 121.5165 54.0146 32.5783 177.0552 43 L 3.9127 8.5275 120.7622 58.2303 41.7407 179.6769 44 E 4.0578 8.1647 116.2234 58.4919 29.4405 177.1015 45 N 4.8603 8.0805 114.0532 52.6829 39.8462 174.6351 46 L 4.4368 7.5682 119.0051 53.8788 42.9612 175.7850 47 N 5.0548 8.8580 118.6703 50.7922 42.1507 174.2414 48 V 3.9031 8.2069 120.2143 64.9604 31.6268 176.1359 49 G 4.0967 8.8174 115.6702 45.1520 0.0000 173.1674 50 D 4.5242 8.0677 120.9067 54.1654 42.0686 175.5363 51 E 4.5608 8.8444 123.3958 56.0368 30.1331 175.8237 52 I 4.5423 8.7019 126.7281 59.4015 39.9965 175.1777 53 I 4.3696 8.3780 127.9022 60.8450 37.7140 175.5620 54 V 4.6267 8.7970 119.8002 59.6223 36.7192 174.0502 55 Q 4.8185 8.8052 123.3104 54.0796 31.3860 174.4863 56 A 4.5406 8.8059 128.7177 52.5592 18.9698 177.3948 57 I 4.0182 9.0302 126.1822 62.7477 37.4053 175.5538 58 D 4.8250 7.7473 118.8784 52.4987 44.6995 174.3476 59 V 4.1755 8.5650 123.6485 61.5254 32.7422 175.5341 60 R 4.4546 8.1558 128.5348 53.7311 29.4491 175.5792 61 P 4.2679 0.0000 0.0000 65.8751 30.9926 178.1389 62 E 4.1730 8.2311 115.7660 58.3330 29.5899 178.1175 63 K 4.3023 7.5055 118.3139 55.2420 33.0787 178.1102 64 R 3.9788 8.1944 115.8610 56.4781 28.5590 175.4238 65 E 5.2656 7.5728 116.9710 53.7831 33.2435 174.9496 66 I 5.0243 7.5871 120.2594 58.4627 41.7213 174.3034 67 D 4.7629 8.3843 125.3242 53.8310 42.1449 175.3131 68 F 5.6367 8.3794 121.7552 55.7126 41.6742 175.0412 69 K 4.6836 8.8872 122.7066 54.7849 35.2481 174.1909 70 Y 4.7944 8.9214 129.2965 56.6515 39.4431 174.6265 71 I 4.5997 7.3271 118.7481 58.2196 40.4207 174.6972 72 P 4.2757 0.0000 0.0000 64.7718 31.4736 177.3192 73 L 4.2618 6.9924 121.6816 53.9127 40.2755 176.3076 74 E 4.1849 8.0535 121.4753 55.8696 29.6162 176.1680 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 M 8.30 4.38 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 2 D 8.52 4.66 0.00 2.74 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 V 8.87 4.32 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 0.89 0.00 0.00 0.50 0.00 0.00 4 E 8.79 4.64 0.00 2.18 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 2.38 2.39 0.00 5 P 0.00 4.42 0.00 2.18 2.19 0.00 3.78 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 2.01 1.98 0.00 6 G 8.62 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 7 K 8.02 4.57 0.00 1.90 1.60 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.77 7.81 8 F 8.60 4.83 0.00 2.65 2.89 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 9 Y 8.93 4.92 0.00 2.83 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 10 K 8.84 4.82 0.00 1.77 1.72 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.42 7.81 11 G 8.99 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 0.00 0.00 0.00 0.00 12 V 8.13 5.00 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 0.87 0.00 0.00 0.96 0.00 0.00 13 V 8.46 4.14 2.27 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 1.13 0.00 0.00 1.01 0.00 0.00 14 T 9.12 4.29 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 1.30 0.00 0.00 15 R 7.78 4.70 0.00 1.87 2.03 0.00 2.93 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 16 I 8.31 4.35 1.85 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 1.41 1.00 0.87 0.00 0.00 17 E 8.61 4.36 0.00 1.44 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 2.36 2.51 0.00 18 K 8.24 4.42 0.00 1.86 1.89 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.43 7.81 19 Y 7.91 4.75 0.00 2.98 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 20 G 6.03 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 0.00 0.00 0.00 21 A 8.19 5.00 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.76 4.83 0.00 3.09 3.04 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 23 I 9.19 5.11 2.01 0.00 0.00 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 1.26 1.13 0.77 0.00 0.00 24 N 8.94 5.16 0.00 2.69 2.75 0.00 0.00 6.72 6.20 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 25 L 8.86 4.23 0.00 1.55 1.54 0.92 0.97 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 26 N 7.66 4.93 0.00 2.68 2.56 0.00 0.00 6.89 7.65 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 27 E 8.78 3.88 0.00 1.96 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 2.31 2.38 0.00 28 Q 8.02 4.54 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.56 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 29 V 8.07 4.40 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 1.12 0.00 0.00 0.90 0.00 0.00 30 R 8.61 5.21 0.00 2.07 1.76 0.00 3.35 0.00 0.00 3.60 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.93 0.00 31 G 9.38 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.26 4.77 0.00 1.19 1.21 -0.05 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.91 4.93 0.00 2.02 1.73 1.11 0.79 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 34 R 8.42 4.81 0.00 1.98 1.82 0.00 3.18 0.00 0.00 3.38 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.57 0.00 35 P 0.00 4.25 0.00 2.20 2.28 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 36 R 7.91 4.09 0.00 1.83 2.03 0.00 3.20 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 37 D 8.05 4.71 0.00 2.99 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 38 M 7.63 4.74 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.89 0.00 39 I 7.61 4.12 2.25 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.95 1.00 0.00 0.00 40 S 8.00 4.30 0.00 3.95 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 41 L 6.67 4.45 0.00 0.92 1.34 0.97 0.80 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 42 R 7.98 4.59 0.00 1.76 1.76 0.00 3.24 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 43 L 8.53 3.91 0.00 1.66 1.70 0.89 0.91 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 44 E 8.16 4.06 0.00 1.93 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 2.30 2.31 0.00 45 N 8.08 4.86 0.00 2.71 2.79 0.00 0.00 6.93 8.02 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 46 L 7.57 4.44 0.00 1.63 1.57 0.89 0.92 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 47 N 8.86 5.05 0.00 2.82 2.65 0.00 0.00 6.87 7.31 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 48 V 8.21 3.90 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 0.93 0.00 0.00 0.97 0.00 0.00 49 G 8.82 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 50 D 8.07 4.52 0.00 2.71 2.62 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 51 E 8.84 4.56 0.00 1.86 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 2.34 0.00 52 I 8.70 4.54 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.73 1.11 0.00 0.00 53 I 8.38 4.37 1.79 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 1.34 0.48 0.90 0.00 0.00 54 V 8.80 4.63 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 0.53 0.00 0.00 55 Q 8.81 4.82 0.00 1.58 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.72 0.00 0.00 0.00 0.00 0.00 1.97 1.70 0.00 56 A 8.81 4.54 1.46 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 0.00 0.00 57 I 9.03 4.02 1.84 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 0.72 0.89 0.00 0.00 58 D 7.75 4.82 0.00 2.50 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.56 4.18 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 0.86 0.00 0.00 1.02 0.00 0.00 60 R 8.16 4.45 0.00 1.91 1.84 0.00 3.16 0.00 0.00 3.20 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 61 P 0.00 4.27 0.00 2.26 2.31 0.00 3.70 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 62 E 8.23 4.17 0.00 2.14 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 0.00 2.27 2.40 0.00 63 K 7.51 4.30 0.00 2.07 1.86 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.36 1.58 7.81 64 R 8.19 3.98 0.00 1.94 2.07 0.00 3.11 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 65 E 7.57 5.27 0.00 1.85 1.80 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 2.29 2.27 0.00 66 I 7.59 5.02 1.51 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.85 0.83 0.00 0.00 67 D 8.38 4.76 0.00 2.50 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.38 5.64 0.00 2.95 2.84 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 69 K 8.89 4.68 0.00 1.83 1.74 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.38 7.81 70 Y 8.92 4.79 0.00 3.03 2.96 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 71 I 7.33 4.60 1.85 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.78 0.84 0.00 0.00 72 P 0.00 4.28 0.00 2.08 2.19 0.00 3.67 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 73 L 6.99 4.26 0.00 1.76 1.67 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.05 4.18 0.00 1.96 1.80 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 2.04 2.24 0.00