NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4978 8.1927 117.1057 58.3220 62.8078 173.4759 3 H 4.4054 8.8458 125.2248 55.6704 29.9873 174.0821 4 K 4.7187 8.2531 118.3977 54.2995 36.6245 180.1890 5 Q 4.4853 8.2084 117.1934 56.7035 32.2800 176.1376 6 I 4.1223 7.2989 117.3727 61.1333 38.1207 175.4678 7 Y 4.7604 8.1333 122.8336 56.4531 41.9647 173.8199 8 Y 4.8394 8.9780 120.9362 56.3772 40.3923 175.7914 9 S 4.7135 7.8558 117.2520 56.8737 65.4820 173.4805 10 D 4.6400 8.5556 119.1593 54.2884 41.4601 177.8560 11 K 5.1497 8.6053 121.5814 55.4042 30.2721 176.0711 12 Y 4.3090 8.0311 119.2531 56.9397 38.8615 175.9679 13 D 5.2730 8.4042 124.5334 51.7971 42.4474 173.4862 14 D 4.5786 7.8960 117.6034 52.6031 42.7500 175.6934 15 E 4.2323 8.3795 117.9183 54.0806 28.2450 174.2304 16 E 4.5863 7.0907 131.7942 56.8717 34.7103 176.3077 17 F 5.0091 7.9894 117.4166 55.5187 43.9169 172.9135 18 E 4.5463 9.0889 123.0968 54.9920 31.4993 175.0662 19 Y 5.2322 8.1031 124.8524 56.4485 40.9382 174.2288 20 R 4.4699 7.6837 120.5434 57.2166 33.6145 172.6860 21 H 5.4414 7.5854 116.5512 55.2462 31.7782 173.5226 22 V 3.7493 8.6324 123.8787 62.7451 33.1220 174.5208 23 M 4.9160 8.6211 126.0695 53.5026 33.8243 174.6680 24 L 4.3587 8.4783 126.0409 53.3375 43.1792 175.5541 25 P 4.4608 0.0000 0.0000 62.3534 32.2146 177.6429 26 K 3.9210 8.7420 120.6323 59.4053 32.1494 177.7501 27 D 4.8427 7.9779 117.0043 54.5330 40.4785 176.8954 28 I 4.5860 7.9059 117.3579 60.7045 41.3178 176.7554 29 A 4.0170 7.8851 123.3921 55.1929 18.2265 180.0575 30 K 4.0618 7.9619 113.2438 59.6751 32.7616 177.8590 31 L 4.1211 8.0087 118.0931 55.4976 41.7836 176.8374 32 V 3.8905 7.5628 120.0143 60.9187 31.3626 173.5671 33 P 4.0743 0.0000 0.0000 62.9538 31.3712 176.2277 34 K 4.0687 8.7582 125.2725 58.9517 32.4019 177.5916 35 T 4.3523 7.7537 106.6348 62.2282 69.6999 173.7417 36 H 4.9665 7.4573 115.8670 53.4855 31.7344 172.8654 37 L 3.9777 8.2023 120.0001 54.7454 42.1691 177.1166 38 M 5.2939 8.3452 120.6667 54.3326 33.3510 175.7148 39 S 4.9033 8.2991 114.2044 56.2532 66.0778 174.6185 40 E 2.7399 8.8349 121.5519 59.4443 29.0276 178.9740 41 S 3.8502 7.7868 112.0725 61.4315 62.3510 175.7425 42 E 3.9558 7.9382 121.2223 59.3113 29.4004 179.4341 43 W 4.5543 7.8686 115.8366 59.3408 28.5084 178.5279 44 R 4.4930 7.6787 120.5600 58.5729 29.1544 178.3182 45 N 4.3071 7.9773 116.3938 56.6095 38.9880 176.6467 46 L 4.2543 7.7076 119.0674 55.9723 41.7459 177.9864 47 G 4.0954 8.0802 106.3599 44.9850 0.0000 173.6456 48 V 3.8321 8.1206 120.6762 62.5501 31.7820 174.6103 49 Q 4.6684 8.6281 127.4524 54.3427 30.0656 174.9603 50 Q 4.5029 8.5234 119.5067 54.6957 31.2942 173.8449 51 S 4.2205 8.8485 112.9294 58.6989 63.1327 175.0471 52 Q 4.1253 9.2007 125.5053 59.5176 28.6930 178.2256 53 G 3.7239 7.9516 104.0709 46.6481 0.0000 173.5529 54 W 4.6073 7.9800 120.6038 56.8759 29.9387 176.0021 55 V 4.7289 9.4416 122.9891 61.4947 34.4291 174.1237 56 H 4.5815 9.5741 128.2350 56.5187 28.6198 174.0309 57 Y 4.5054 8.5386 122.1228 57.4445 38.9191 175.8012 58 M 4.2601 6.8098 117.4609 54.5211 34.8782 173.2650 59 I 4.0707 7.9358 125.7209 60.3260 36.8730 176.0078 60 H 4.4746 8.4654 125.7255 54.5747 27.9042 174.9278 61 E 3.6224 8.1935 122.5361 59.0648 29.9475 177.0901 62 P 4.3040 0.0000 0.0000 65.2779 31.7389 177.4348 63 E 4.5598 7.0624 117.8194 52.7591 29.1565 174.0677 64 P 4.2681 0.0000 0.0000 66.5714 31.9502 177.2571 65 H 4.3325 8.3469 111.4777 56.6418 28.5038 174.0684 66 I 4.6065 7.1247 121.8603 59.7007 38.7040 175.1602 67 L 4.0895 8.5603 128.0287 53.8528 43.5988 176.0885 68 L 4.5331 7.9007 123.4794 53.4234 43.0093 175.7636 69 F 5.3324 8.1604 122.2789 56.2708 41.4829 175.3593 70 R 5.4454 8.9085 114.3728 56.0629 32.7340 173.9118 71 R 5.0917 9.0182 116.5946 53.8837 33.3174 172.4041 72 P 4.8835 0.0000 0.0000 62.7103 32.5767 174.9877 73 L 4.5709 7.5868 124.7602 52.5858 43.4054 174.9910 74 P 4.3189 0.0000 0.0000 63.3963 31.9450 174.1867 75 K 3.5649 8.2214 115.8466 55.2033 28.6702 176.7495 76 K 4.2600 8.0947 124.0824 56.2636 29.5384 174.9514 77 P 4.4137 0.0000 0.0000 62.7544 31.4613 176.5826 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 S 8.19 4.50 0.00 3.67 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 3 H 8.85 4.41 0.00 3.22 3.34 0.00 5.70 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.25 4.72 0.00 1.84 1.49 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.29 1.28 7.81 5 Q 8.21 4.49 0.00 1.92 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.93 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 6 I 7.30 4.12 1.71 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 1.24 0.37 0.38 0.00 0.00 7 Y 8.13 4.76 0.00 2.81 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 8 Y 8.98 4.84 0.00 2.78 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 9 S 7.86 4.71 0.00 3.94 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 10 D 8.56 4.64 0.00 2.80 2.76 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 11 K 8.61 5.15 0.00 1.82 1.90 0.00 1.78 0.00 0.00 2.51 0.00 0.00 3.36 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.88 1.76 7.81 12 Y 8.03 4.31 0.00 3.24 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 13 D 8.40 5.27 0.00 2.73 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 7.90 4.58 0.00 2.78 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 15 E 8.38 4.23 0.00 2.03 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 2.25 2.33 0.00 16 E 7.09 4.59 0.00 1.94 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 0.00 2.10 1.71 0.00 17 F 7.99 5.01 0.00 2.80 2.52 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 0.00 0.00 0.00 0.00 18 E 9.09 4.55 0.00 1.88 1.63 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 2.37 2.25 0.00 19 Y 8.10 5.23 0.00 2.19 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 0.00 0.00 0.00 0.00 20 R 7.68 4.47 0.00 1.59 0.93 0.00 2.21 0.00 0.00 2.55 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.06 0.00 21 H 7.59 5.44 0.00 3.33 3.44 0.00 5.59 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.63 3.75 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 0.45 0.00 0.00 0.55 0.00 0.00 23 M 8.62 4.92 0.00 2.20 1.93 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.56 0.00 24 L 8.48 4.36 0.00 1.68 1.59 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.46 0.00 2.23 2.19 0.00 3.71 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 2.07 1.98 0.00 26 K 8.74 3.92 0.00 1.79 1.88 0.00 1.57 0.00 0.00 1.73 0.00 0.00 2.67 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.29 7.81 27 D 7.98 4.84 0.00 2.67 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.91 4.59 2.00 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 1.24 1.00 0.93 0.00 0.00 29 A 7.89 4.02 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 30 K 7.96 4.06 0.00 1.87 1.96 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.47 7.81 31 L 8.01 4.12 0.00 1.66 1.77 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.56 3.89 2.34 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 0.76 0.00 0.00 0.96 0.00 0.00 33 P 0.00 4.07 0.00 1.95 1.69 0.00 3.73 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 2.13 2.12 0.00 34 K 8.76 4.07 0.00 1.68 1.81 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.17 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.46 7.81 35 T 7.75 4.35 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 1.21 0.00 0.00 36 H 7.46 4.97 0.00 3.20 3.24 0.00 5.52 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.20 3.98 0.00 1.64 1.66 0.94 0.68 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 38 M 8.35 5.29 0.00 2.26 2.35 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.56 0.00 39 S 8.30 4.90 0.00 3.97 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 40 E 8.83 2.74 0.00 1.97 1.82 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 1.98 1.50 0.00 41 S 7.79 3.85 0.00 3.81 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 42 E 7.94 3.96 0.00 2.41 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 2.36 2.34 0.00 43 W 7.87 4.55 0.00 3.75 3.54 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 44 R 7.68 4.49 0.00 1.80 1.94 0.00 2.79 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.61 0.00 45 N 7.98 4.31 0.00 2.98 2.91 0.00 0.00 7.25 7.84 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 46 L 7.71 4.25 0.00 2.02 1.80 1.05 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.08 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 48 V 8.12 3.83 2.52 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 0.73 0.00 0.00 1.06 0.00 0.00 49 Q 8.63 4.67 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.43 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 50 Q 8.52 4.50 0.00 2.01 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.85 0.00 0.00 0.00 0.00 0.00 1.82 2.24 0.00 51 S 8.85 4.22 0.00 4.00 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 0.00 52 Q 9.20 4.13 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.42 2.87 0.00 53 G 7.95 3.72 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 0.00 0.00 0.00 54 W 7.98 4.61 0.00 3.19 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 55 V 9.44 4.73 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.17 0.00 0.00 56 H 9.57 4.58 0.00 3.22 3.30 0.00 5.79 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 8.54 4.51 0.00 3.18 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 58 M 6.81 4.26 0.00 1.03 1.26 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 59 I 7.94 4.07 1.78 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.56 0.93 0.00 0.00 60 H 8.47 4.47 0.00 3.06 3.19 0.00 5.91 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.19 3.62 0.00 1.94 1.93 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 2.28 2.29 0.00 62 P 0.00 4.30 0.00 1.84 2.06 0.00 3.28 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 63 E 7.06 4.56 0.00 2.15 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 0.00 1.96 2.21 0.00 64 P 0.00 4.27 0.00 2.04 2.15 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.18 0.00 65 H 8.35 4.33 0.00 3.37 3.53 0.00 5.61 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 7.12 4.61 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.10 0.78 0.00 0.00 67 L 8.56 4.09 0.00 1.62 1.05 1.04 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.90 4.53 0.00 1.38 0.99 0.72 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 69 F 8.16 5.33 0.00 2.45 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 70 R 8.91 5.45 0.00 1.90 1.21 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.25 0.00 71 R 9.02 5.09 0.00 1.56 1.14 0.00 2.35 0.00 0.00 2.63 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.24 0.00 72 P 0.00 4.88 0.00 2.07 2.27 0.00 3.69 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 1.95 2.00 0.00 73 L 7.59 4.57 0.00 1.46 1.42 0.82 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.32 0.00 2.16 2.03 0.00 3.79 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 75 K 8.22 3.56 0.00 1.90 1.93 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.35 7.81 76 K 8.09 4.26 0.00 1.73 2.19 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.25 1.32 7.81 77 P 0.00 4.41 0.00 2.14 1.90 0.00 3.57 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 2.04 2.03 0.00