NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.8295 8.4898 122.2840 51.7595 18.7818 175.6953 2 P 4.5003 0.0000 0.0000 59.7172 33.9200 174.3566 3 W 5.3228 8.5900 118.1103 54.8593 32.0487 175.2588 4 A 5.1909 9.3511 121.5325 50.8830 22.9761 175.2167 5 T 4.9262 8.8754 109.3666 60.1445 72.2838 173.8321 6 A 4.4683 8.2242 124.2836 51.0223 19.2229 178.0951 7 E 3.9020 9.2708 123.3018 59.8056 29.9821 177.4724 8 Y 4.9526 7.9908 113.6585 55.7755 42.3814 174.8798 9 D 4.7036 9.1019 121.6110 54.7705 42.2890 174.7095 10 Y 4.3410 8.3610 126.1187 55.6924 41.7630 173.4638 11 D 4.6962 7.4705 126.1551 51.9392 42.3651 176.3978 12 A 4.0396 8.0217 127.0821 52.4692 18.8357 176.8203 13 A 4.6362 9.1171 124.2087 51.8093 20.0522 176.0599 14 E 4.8182 7.6353 115.2411 54.6309 33.7845 176.2445 15 D 4.3833 8.7239 120.3556 57.5344 41.2139 177.4078 16 N 4.7652 8.1523 114.1859 53.3686 38.8904 173.5941 17 E 5.3174 7.7972 118.4056 54.6720 31.3583 176.0399 18 L 4.5054 9.0352 124.0870 55.0719 42.7911 176.4268 19 T 4.7774 8.4761 118.8900 61.8525 70.9767 173.4424 20 F 5.0325 8.5700 119.9782 56.2837 42.0865 173.0823 21 V 4.9383 9.2362 112.0904 58.8373 35.3957 175.2235 22 E 4.2279 8.8845 122.1821 58.5489 29.5946 177.3287 23 N 4.6269 9.1634 122.2245 53.3115 38.1446 174.6378 24 D 4.5690 8.0327 118.6914 54.2905 42.3468 175.4542 25 K 4.9161 8.4492 120.7250 55.2481 34.5829 175.3829 26 I 4.8249 8.6762 125.3035 59.3947 39.9691 174.9168 27 I 4.7304 9.0744 120.4646 58.4320 41.0621 174.7040 28 N 4.1921 8.5890 116.9181 54.3897 35.9614 175.4387 29 I 4.1233 7.8337 118.7728 61.2809 38.2577 175.6862 30 E 4.5943 8.9168 124.9481 54.5937 31.8804 176.6990 31 F 4.4844 8.4786 123.7622 56.6156 37.4940 175.4221 32 V 3.8413 7.9327 123.1138 65.4146 32.1691 175.1812 33 D 4.9785 8.1361 115.9245 52.1715 44.4627 174.5999 34 D 4.6522 8.8436 122.1405 55.9987 39.8893 176.7361 35 D 4.3434 8.5273 119.0847 54.7774 43.1584 176.4699 36 W 4.6327 8.1199 117.0125 54.3673 32.5644 174.9559 37 W 5.2533 8.0822 122.5703 54.7105 33.0461 173.8324 38 L 5.0385 8.3873 124.2602 54.1705 43.4921 175.7535 39 G 4.2064 9.1291 112.9039 45.6472 0.0000 170.2420 40 E 5.3931 8.6471 119.4890 54.4021 33.7487 175.9169 41 L 4.4452 8.9941 127.2136 54.5328 41.3410 177.5611 42 E 3.9825 9.0694 125.5876 59.2417 30.0337 179.1895 43 K 4.2338 8.1313 117.3451 59.0336 33.0585 177.2111 44 D 4.5665 7.4750 111.8701 52.4408 41.6753 176.2550 45 G 4.1912 8.4303 108.4534 45.9845 0.0000 174.1952 46 S 4.4802 8.4904 115.3975 58.2875 64.3014 173.5188 47 K 5.1644 9.1787 119.8321 54.2333 36.0589 175.7331 48 G 4.1894 8.1900 110.1445 46.1255 0.0000 171.5110 49 L 5.0788 8.6337 120.8631 54.7354 42.7448 176.8574 50 F 5.3719 9.2820 117.7656 54.4635 42.1413 172.0393 51 P 2.9911 0.0000 0.0000 61.4720 32.2305 177.4726 52 S 4.0088 8.4006 119.2892 61.4492 62.6815 176.0983 53 N 4.4031 7.7815 115.5193 54.8613 37.0843 174.7921 54 Y 4.5672 8.0519 116.1321 58.4311 38.5483 174.9941 55 V 5.0731 8.0137 112.4417 59.6628 36.2976 174.7171 56 S 4.7633 8.5274 116.0470 56.1538 65.2927 173.3706 57 L 4.1024 8.7435 126.9968 56.2918 42.1150 178.9796 58 G 2.6373 7.6961 111.9593 44.4471 0.0000 173.5591 59 N 4.6842 8.2900 115.9376 53.6532 38.7177 175.0844 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 A 8.49 4.83 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 2 P 0.00 4.50 0.00 2.03 2.12 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.94 0.00 3 W 8.59 5.32 0.00 3.47 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 4 A 9.35 5.19 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 5 T 8.88 4.93 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 1.45 0.00 0.00 6 A 8.22 4.47 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 7 E 9.27 3.90 0.00 2.08 1.78 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 2.31 2.33 0.00 8 Y 7.99 4.95 0.00 2.71 2.86 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 0.00 0.00 0.00 9 D 9.10 4.70 0.00 2.80 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 Y 8.36 4.34 0.00 2.30 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 11 D 7.47 4.70 0.00 2.23 2.32 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.02 4.04 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 13 A 9.12 4.64 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.64 4.82 0.00 1.98 1.76 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 2.25 2.29 0.00 15 D 8.72 4.38 0.00 2.67 2.75 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 16 N 8.15 4.77 0.00 2.75 2.85 0.00 0.00 7.05 7.66 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 17 E 7.80 5.32 0.00 2.17 2.20 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 0.00 2.40 2.31 0.00 18 L 9.04 4.51 0.00 1.97 1.98 1.23 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.48 4.78 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 1.13 0.00 0.00 20 F 8.57 5.03 0.00 3.20 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 21 V 9.24 4.94 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 0.76 0.00 0.00 1.07 0.00 0.00 22 E 8.88 4.23 0.00 1.99 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 2.32 2.51 0.00 23 N 9.16 4.63 0.00 2.91 3.04 0.00 0.00 7.04 7.98 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 24 D 8.03 4.57 0.00 2.69 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.45 4.92 0.00 1.71 1.57 0.00 1.45 0.00 0.00 1.00 0.00 0.00 2.64 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.50 1.37 7.81 26 I 8.68 4.82 1.37 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.18 0.45 0.00 0.00 27 I 9.07 4.73 1.88 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 1.37 0.74 0.80 0.00 0.00 28 N 8.59 4.19 0.00 2.88 2.92 0.00 0.00 7.15 7.46 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 29 I 7.83 4.12 1.69 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.81 0.44 0.00 0.00 30 E 8.92 4.59 0.00 2.00 1.85 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 2.23 2.41 0.00 31 F 8.48 4.48 0.00 2.97 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 32 V 7.93 3.84 2.20 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 0.77 0.00 0.00 1.06 0.00 0.00 33 D 8.14 4.98 0.00 2.70 2.75 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 34 D 8.84 4.65 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 35 D 8.53 4.34 0.00 2.84 2.99 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 36 W 8.12 4.63 0.00 3.13 2.93 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 37 W 8.08 5.25 0.00 2.23 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.39 5.04 0.00 1.80 1.59 1.07 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 39 G 9.13 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 0.00 0.00 0.00 0.00 40 E 8.65 5.39 0.00 2.08 1.75 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 2.20 2.60 0.00 41 L 8.99 4.45 0.00 1.82 1.57 1.20 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 42 E 9.07 3.98 0.00 1.91 1.84 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 2.21 2.12 0.00 43 K 8.13 4.23 0.00 1.89 1.91 0.00 1.61 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.43 7.81 44 D 7.48 4.57 0.00 2.71 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 45 G 8.43 4.19 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 0.00 46 S 8.49 4.48 0.00 3.96 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 0.00 47 K 9.18 5.16 0.00 1.66 1.77 0.00 1.92 0.00 0.00 1.76 0.00 0.00 3.25 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.38 1.59 7.81 48 G 8.19 4.19 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 0.00 49 L 8.63 5.08 0.00 1.69 1.80 0.83 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 50 F 9.28 5.37 0.00 3.25 3.34 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 51 P 0.00 2.99 0.00 1.62 0.49 0.00 3.01 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.44 0.00 52 S 8.40 4.01 0.00 3.18 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 53 N 7.78 4.40 0.00 2.66 2.82 0.00 0.00 5.83 7.59 0.00 0.00 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 Y 8.05 4.57 0.00 3.35 3.40 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 55 V 8.01 5.07 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 0.41 0.00 0.00 1.24 0.00 0.00 56 S 8.53 4.76 0.00 4.15 3.65 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 57 L 8.74 4.10 0.00 1.46 1.38 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 58 G 7.70 2.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.29 4.68 0.00 2.88 2.82 0.00 0.00 6.83 7.70 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