NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8372 8.3393 109.7368 46.6676 0.0000 171.6165 2 R 3.9548 8.9479 120.1933 51.2140 26.4604 177.6595 3 Q 3.7565 9.0567 121.9727 54.2922 29.4939 173.7419 4 F 4.6416 8.7816 115.9146 57.0711 41.6165 175.6890 5 G 4.1114 9.3155 112.6271 45.9081 0.0000 173.6714 6 H 4.9352 7.8053 114.2106 55.4171 29.7060 174.6241 7 L 4.0481 7.5038 120.0723 56.3700 41.9559 177.4342 8 T 4.4084 7.0865 111.7703 61.2852 70.5356 172.5710 9 R 4.3807 8.2944 123.8785 54.7907 30.7868 175.4140 10 V 4.4642 8.1711 124.1079 61.0589 34.4843 174.5505 11 R 4.4945 7.8809 124.2880 55.7052 33.7035 174.3225 12 H 4.0620 8.6903 115.5024 57.2915 25.9587 175.3679 13 V 4.3077 7.7613 117.7569 61.1348 33.5897 174.3489 14 I 4.1303 8.1756 127.8615 60.2649 38.4578 175.8071 15 T 4.3296 7.6981 119.1900 61.8956 70.5229 173.1578 16 Y 4.4029 8.3059 124.6713 57.3562 38.8539 175.4742 17 S 4.8639 8.4442 118.9532 56.7080 67.2231 172.8856 18 L 4.8148 8.0731 122.0198 52.8550 45.1521 176.0857 19 S 4.3110 8.5797 119.3805 57.5931 62.9033 173.3918 20 P 4.2485 0.0000 0.0000 65.3900 31.0494 176.9018 21 F 4.4215 8.0881 115.9782 57.7655 38.9450 175.7365 22 E 4.7044 8.3482 119.0790 55.7558 30.5290 175.0619 23 Q 4.6619 7.7029 116.0214 54.0493 32.0121 174.3199 24 R 4.3759 8.2152 114.2769 54.7644 30.9144 176.7263 25 A 3.8361 8.3649 123.1736 54.3990 18.6483 177.7905 26 F 4.9374 7.4607 113.4042 54.5510 40.1910 176.1003 27 P 4.7489 0.0000 0.0000 61.4855 31.5369 177.7588 28 H 4.4487 8.8627 114.8391 57.4507 28.0685 175.0127 29 Y 3.9017 8.1694 124.5312 60.4702 39.7932 177.6991 30 F 4.1286 8.3384 117.4477 59.5276 39.2062 177.1811 31 S 4.2001 7.6828 114.7930 62.3225 63.1084 176.1745 32 K 4.2369 8.4530 124.5379 59.6184 32.3374 179.1152 33 G 3.9803 8.0241 107.0266 47.2232 0.0000 174.9331 34 I 3.5925 7.7532 119.9502 63.0165 38.1587 176.2897 35 P 4.2412 0.0000 0.0000 65.9556 31.0373 178.2285 36 N 4.3297 7.9190 114.9809 56.4288 38.3657 177.9699 37 V 3.6063 7.6406 113.3418 64.1596 31.6189 178.5160 38 L 3.9477 7.9616 118.9255 57.8151 41.5731 179.4917 39 R 3.9100 8.1155 118.6571 59.5098 29.6489 178.8187 40 R 3.9927 8.1930 118.1186 59.1945 29.9362 179.1919 41 T 3.9123 8.0626 115.9177 66.6414 68.2694 176.7243 42 R 3.8849 8.0827 118.7648 59.5052 30.2364 178.7093 43 A 4.1408 7.8353 118.9019 54.3678 18.5913 178.3421 44 C 4.6304 7.6027 109.8657 58.5387 31.0544 176.0925 45 I 3.6930 7.8710 123.4028 64.7220 36.6193 177.9000 46 L 4.1299 7.9722 116.5042 56.7806 41.4768 178.4106 47 R 4.4473 7.8860 116.9754 56.8012 30.4073 177.9038 48 V 4.0261 7.6039 117.0250 65.2534 32.0983 177.1665 49 A 4.0079 8.0605 120.4510 55.1456 18.1994 177.4107 50 P 4.1786 0.0000 0.0000 65.6060 31.5538 176.6550 51 P 4.2186 0.0000 0.0000 65.9669 31.1618 178.6366 52 F 4.3167 7.7379 113.7660 60.7636 38.8885 178.2197 53 V 3.7834 8.0749 111.8700 64.2746 31.2351 178.2748 54 A 4.0945 8.2425 120.6499 55.2540 18.0860 179.5477 55 F 4.1738 8.2100 118.4514 61.6120 39.6786 176.4481 56 Y 3.8173 8.5870 119.6690 60.8384 38.4621 178.4343 57 L 4.1571 8.7307 119.8616 58.0707 41.8235 179.6250 58 V 3.6631 8.0148 118.2080 66.0522 31.2980 177.5197 59 Y 3.8199 8.4550 120.1098 60.7966 38.6513 178.0247 60 T 3.6710 7.7570 110.4148 64.2915 68.8330 176.3145 61 W 4.0515 8.4445 131.4500 60.2224 30.6607 177.9744 62 G 3.7470 8.5350 105.7170 48.3179 0.0000 175.7278 63 T 3.7922 7.5530 117.6373 66.3733 68.5031 176.9274 64 Q 3.8233 7.7201 119.9231 58.8570 28.7632 178.5938 65 E 3.5083 7.5580 120.3755 58.9571 29.0256 178.4104 66 F 4.0753 7.5704 120.5450 61.6617 39.2448 177.0641 67 E 3.3507 7.8631 116.4963 59.0746 29.3042 179.2331 68 K 4.0254 7.7767 117.4520 58.8060 32.4948 178.9867 69 S 4.2090 7.6786 113.6938 60.4276 62.0092 174.4895 70 K 4.5428 7.0343 119.8676 56.6925 31.9269 176.4639 71 R 4.6856 7.1763 115.9734 54.5457 33.9838 174.8452 72 K 4.3747 7.9816 116.2860 55.9269 36.4621 171.5723 73 N 4.4779 9.0029 124.9676 53.7438 36.8333 176.0564 74 P 4.3944 0.0000 0.0000 61.9351 32.9069 175.8883 75 A 4.0583 8.4227 120.9686 53.0486 18.5882 177.2474 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 G 8.34 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 2 R 8.95 3.95 0.00 2.02 2.24 0.00 3.14 0.00 0.00 3.20 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.69 0.00 3 Q 9.06 3.76 0.00 2.32 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 4 F 8.78 4.64 0.00 2.87 2.87 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 0.00 0.00 0.00 5 G 9.32 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 0.00 0.00 0.00 0.00 6 H 7.81 4.94 0.00 3.11 3.23 0.00 5.72 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.50 4.05 0.00 1.51 1.52 0.40 0.74 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 8 T 7.09 4.41 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 1.17 0.00 0.00 9 R 8.29 4.38 0.00 1.79 1.80 0.00 3.22 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 10 V 8.17 4.46 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 0.88 0.00 0.00 0.91 0.00 0.00 11 R 7.88 4.49 0.00 1.52 1.19 0.00 3.36 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.53 0.00 12 H 8.69 4.06 0.00 3.32 3.38 0.00 5.64 0.00 0.00 0.00 0.00 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.76 4.31 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 0.83 0.00 0.00 0.98 0.00 0.00 14 I 8.18 4.13 1.68 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 1.33 0.66 0.20 0.00 0.00 15 T 7.70 4.33 4.16 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 0.00 0.00 0.00 1.20 0.00 0.00 16 Y 8.31 4.40 0.00 2.98 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.44 4.86 0.00 3.82 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 18 L 8.07 4.81 0.00 1.55 1.50 0.95 0.91 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 19 S 8.58 4.31 0.00 3.95 3.78 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 20 P 0.00 4.25 0.00 2.02 2.13 0.00 3.93 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.09 0.00 21 F 8.09 4.42 0.00 2.94 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 22 E 8.35 4.70 0.00 2.08 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 2.28 2.28 0.00 23 Q 7.70 4.66 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.27 0.00 24 R 8.22 4.38 0.00 1.96 1.97 0.00 3.04 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 25 A 8.36 3.84 0.71 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 0.00 0.00 26 F 7.46 4.94 0.00 2.90 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 27 P 0.00 4.75 0.00 2.12 1.88 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.22 0.00 28 H 8.86 4.45 0.00 3.27 3.40 0.00 5.82 0.00 0.00 0.00 0.00 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.17 3.90 0.00 3.11 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 30 F 8.34 4.13 0.00 3.16 3.09 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 31 S 7.68 4.20 0.00 3.95 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 32 K 8.45 4.24 0.00 1.87 1.84 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.36 7.81 33 G 8.02 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 34 I 7.75 3.59 1.85 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 1.52 1.31 1.01 0.00 0.00 35 P 0.00 4.24 0.00 2.27 2.09 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.19 0.00 36 N 7.92 4.33 0.00 2.82 2.82 0.00 0.00 7.04 8.23 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 37 V 7.64 3.61 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 0.82 0.00 0.00 0.90 0.00 0.00 38 L 7.96 3.95 0.00 1.85 1.70 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.12 3.91 0.00 2.04 2.04 0.00 3.08 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 40 R 8.19 3.99 0.00 2.06 1.95 0.00 3.16 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 41 T 8.06 3.91 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 1.20 0.00 0.00 42 R 8.08 3.88 0.00 1.91 2.00 0.00 3.16 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 43 A 7.84 4.14 1.37 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 0.00 0.00 0.00 44 C 7.60 4.63 0.00 3.19 3.16 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 0.00 0.00 0.00 0.00 45 I 7.87 3.69 1.88 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 1.71 0.70 0.91 0.00 0.00 46 L 7.97 4.13 0.00 1.62 1.74 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.89 4.45 0.00 1.88 1.97 0.00 3.16 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 48 V 7.60 4.03 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 1.23 0.00 0.00 1.04 0.00 0.00 49 A 8.06 4.01 1.43 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 0.00 0.00 0.00 50 P 0.00 4.18 0.00 2.19 2.15 0.00 3.68 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.22 0.00 51 P 0.00 4.22 0.00 1.86 1.93 0.00 3.85 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 52 F 7.74 4.32 0.00 3.27 3.15 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 0.00 0.00 0.00 0.00 53 V 8.07 3.78 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 0.72 0.00 0.00 0.96 0.00 0.00 54 A 8.24 4.09 1.43 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 0.00 0.00 0.00 55 F 8.21 4.17 0.00 3.12 3.31 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 56 Y 8.59 3.82 0.00 3.10 3.12 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 0.00 57 L 8.73 4.16 0.00 1.92 1.80 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.01 3.66 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 1.07 0.00 0.00 0.97 0.00 0.00 59 Y 8.46 3.82 0.00 2.17 2.54 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 0.00 0.00 0.00 0.00 60 T 7.76 3.67 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 1.07 0.00 0.00 61 W 8.44 4.05 0.00 3.44 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.54 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.55 3.79 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 1.08 0.00 0.00 64 Q 7.72 3.82 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 65 E 7.56 3.51 0.00 1.16 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 1.97 2.13 0.00 66 F 7.57 4.08 0.00 2.98 3.18 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 67 E 7.86 3.35 0.00 2.04 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 68 K 7.78 4.03 0.00 1.80 1.75 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.33 7.81 69 S 7.68 4.21 0.00 3.97 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 70 K 7.03 4.54 0.00 1.38 1.64 0.00 1.29 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.28 1.01 7.81 71 R 7.18 4.69 0.00 1.83 1.73 0.00 3.11 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.42 0.00 72 K 7.98 4.37 0.00 1.59 1.58 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.24 1.40 7.81 73 N 9.00 4.48 0.00 2.70 2.19 0.00 0.00 7.13 7.69 0.00 0.00 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 P 0.00 4.39 0.00 2.07 1.99 0.00 3.87 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 2.01 2.07 0.00 75 A 8.42 4.06 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