NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 L 4.3153 8.1849 120.6302 54.7622 42.7949 175.4829 22 V 4.4328 7.8120 117.2017 58.0232 35.5696 172.5620 23 E 3.9303 9.2019 121.4859 59.8393 30.3048 178.6393 24 A 4.0428 7.9437 120.5513 54.6025 18.7277 177.4710 25 P 4.5020 0.0000 0.0000 65.0725 31.8988 178.8111 26 V 3.6924 7.6692 119.7406 64.6537 31.3200 178.0041 27 E 3.9394 8.1401 119.5786 59.0407 29.5460 178.6322 28 F 3.9149 8.2408 120.5732 61.0516 39.3184 177.5941 29 V 3.7428 7.9627 119.1366 64.6317 31.1575 178.3561 30 R 4.1567 7.6665 116.2138 57.5000 29.6731 178.3060 31 E 4.1191 7.9501 120.0735 59.1170 27.9945 178.6045 32 G 3.8934 7.7915 103.9877 45.8658 0.0000 174.8760 33 T 3.9578 7.6107 111.5470 62.9863 69.3457 176.5812 34 Q 4.0620 7.8266 121.3669 58.3453 28.5549 177.9414 35 F 4.2217 8.0422 121.0431 61.1870 39.6597 176.5180 36 L 3.2574 6.6463 117.8725 57.1805 41.8276 178.4074 37 A 4.1202 7.5885 120.4910 54.1451 19.7012 179.0789 38 K 4.2259 7.5971 117.9383 54.6243 29.7650 175.5368 39 C 4.5821 7.2536 118.0863 57.5483 30.3277 173.7963 40 K 4.1427 8.5608 125.2284 56.0181 31.9897 176.2571 41 K 4.5569 8.2946 125.7335 53.7439 33.9982 174.5743 42 P 4.1813 0.0000 0.0000 63.5769 32.0605 175.8191 43 D 5.0310 8.4064 120.4319 52.1254 45.3388 176.9645 44 L 4.1608 8.4248 125.1103 57.7402 41.2695 179.6495 45 K 4.1952 8.0059 116.6507 58.2354 32.1066 178.2869 46 E 4.4005 7.9860 117.5026 57.4375 30.0316 177.1258 47 Y 4.3056 7.8669 119.4911 60.3265 38.8709 177.4019 48 T 3.7926 7.7594 116.7469 66.3100 68.5156 176.8365 49 K 3.9650 7.7286 119.4655 59.4185 31.9830 179.5092 50 I 3.6706 7.5008 119.7671 64.3011 37.1130 178.6968 51 V 3.3600 7.4598 119.3294 65.6865 31.3037 178.2410 52 K 3.9862 7.9794 118.4691 59.7637 32.6513 179.1506 53 A 3.9651 8.0139 122.0621 54.9748 18.4457 179.8247 54 V 3.7423 8.1506 117.0218 65.6565 31.0918 178.1866 55 G 3.8021 7.8901 104.6492 46.8517 0.0000 175.9697 56 I 3.9695 8.0453 122.5585 64.1907 37.1069 178.5802 57 G 3.6667 8.0783 106.4314 47.3482 0.0000 175.2059 58 F 4.1967 8.1092 121.6878 59.9052 39.6331 176.9897 59 I 3.8699 7.5930 117.1355 63.1701 37.7801 177.4335 60 A 3.9982 7.6795 121.2332 54.9126 18.3047 179.6700 61 V 3.5294 7.9083 117.0545 65.9825 31.0475 178.6282 62 G 3.3558 7.4373 105.5910 47.6804 0.0000 175.6949 63 I 3.8323 7.6018 120.9988 63.7045 37.5009 178.1169 64 I 3.8235 7.6495 120.9291 64.2795 36.7801 178.4587 65 G 3.7399 8.0066 105.7275 46.9918 0.0000 175.4167 66 Y 4.3721 7.8033 121.3029 60.6247 38.5478 177.5544 67 A 3.9253 7.9371 121.4470 55.1490 18.2589 179.7298 68 I 3.7260 7.2086 116.4954 64.4017 37.1920 178.3566 69 K 4.1057 7.7040 119.1110 59.3628 32.0622 178.8751 70 L 3.8732 7.6264 118.9150 57.6929 41.3413 178.9892 71 I 3.9162 7.0093 116.4793 62.9512 38.3509 176.8253 72 H 4.2742 7.9113 119.2160 59.4011 29.7391 177.1382 73 I 3.7417 7.4217 121.1213 63.9953 36.9929 176.6924 74 P 4.5281 0.0000 0.0000 65.2029 31.2011 178.7677 75 I 3.7459 7.5675 118.8909 64.3320 36.7809 178.3119 76 R 3.9725 7.9490 118.1062 59.3677 30.0334 177.5579 77 Y 4.3850 7.7285 118.5462 60.7201 38.9444 177.6065 78 V 3.7628 7.9268 117.9623 64.2822 31.8829 175.9695 79 I 4.4250 6.9997 118.7344 59.0777 38.6481 176.0299 80 V 3.8396 8.3994 123.8804 61.9724 31.3284 175.9204 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 21 L 8.18 4.32 0.00 1.64 1.72 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.81 4.43 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 0.97 0.00 0.00 0.94 0.00 0.00 23 E 9.20 3.93 0.00 2.04 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 2.40 2.40 0.00 24 A 7.94 4.04 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 25 P 0.00 4.50 0.00 2.32 2.34 0.00 3.74 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.03 0.00 26 V 7.67 3.69 2.11 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 0.86 0.00 0.00 0.95 0.00 0.00 27 E 8.14 3.94 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 28 F 8.24 3.91 0.00 3.39 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 29 V 7.96 3.74 2.23 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 0.97 0.00 0.00 0.98 0.00 0.00 30 R 7.67 4.16 0.00 1.99 2.09 0.00 3.21 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 31 E 7.95 4.12 0.00 1.78 1.77 0.00 0.00 0.00 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 2.33 0.00 32 G 7.79 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 0.00 0.00 0.00 33 T 7.61 3.96 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 1.26 0.00 0.00 34 Q 7.83 4.06 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 35 F 8.04 4.22 0.00 2.96 3.06 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 0.00 0.00 0.00 36 L 6.65 3.26 0.00 1.08 1.36 0.61 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.59 4.12 1.32 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 0.00 0.00 38 K 7.60 4.23 0.00 1.89 1.82 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.57 1.63 7.81 39 C 7.25 4.58 0.00 2.92 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 40 K 8.56 4.14 0.00 1.71 1.76 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.54 7.81 41 K 8.29 4.56 0.00 1.77 1.69 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.35 1.60 7.81 42 P 0.00 4.18 0.00 1.99 1.99 0.00 3.59 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 43 D 8.41 5.03 0.00 2.76 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 44 L 8.42 4.16 0.00 1.76 1.76 0.93 0.70 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 45 K 8.01 4.20 0.00 1.99 1.86 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.63 7.81 46 E 7.99 4.40 0.00 2.06 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 0.00 2.36 2.53 0.00 47 Y 7.87 4.31 0.00 3.18 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.76 3.79 4.39 0.00 0.00 0.00 0.00 0.00 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 49 K 7.73 3.96 0.00 2.01 1.84 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.67 7.81 50 I 7.50 3.67 1.90 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.73 0.89 0.00 0.00 51 V 7.46 3.36 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 0.90 0.00 0.00 0.24 0.00 0.00 52 K 7.98 3.99 0.00 2.02 2.00 0.00 1.35 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.65 1.42 7.81 53 A 8.01 3.97 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.15 3.74 2.12 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 1.01 0.00 0.00 0.94 0.00 0.00 55 G 7.89 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.05 3.97 2.03 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 1.46 1.14 0.92 0.00 0.00 57 G 8.08 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 58 F 8.11 4.20 0.00 3.36 3.08 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 0.00 0.00 0.00 59 I 7.59 3.87 1.92 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 1.45 1.21 1.02 0.00 0.00 60 A 7.68 4.00 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 V 7.91 3.53 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.88 0.00 0.00 62 G 7.44 3.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.60 3.83 1.88 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 1.38 0.99 0.00 0.00 64 I 7.65 3.82 1.93 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 1.45 0.94 0.90 0.00 0.00 65 G 8.01 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 0.00 0.00 0.00 66 Y 7.80 4.37 0.00 3.07 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 67 A 7.94 3.93 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 68 I 7.21 3.73 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 1.41 0.66 0.93 0.00 0.00 69 K 7.70 4.11 0.00 1.88 1.80 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.45 7.81 70 L 7.63 3.87 0.00 1.53 1.51 0.04 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 71 I 7.01 3.92 1.83 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 1.39 0.74 0.94 0.00 0.00 72 H 7.91 4.27 0.00 3.40 3.37 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 7.42 3.74 2.00 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 1.50 1.12 0.88 0.00 0.00 74 P 0.00 4.53 0.00 2.18 2.14 0.00 3.74 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 2.13 2.25 0.00 75 I 7.57 3.75 2.01 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 1.39 1.12 0.89 0.00 0.00 76 R 7.95 3.97 0.00 1.83 2.19 0.00 3.30 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 77 Y 7.73 4.38 0.00 3.17 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 78 V 7.93 3.76 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 0.88 0.00 0.00 0.91 0.00 0.00 79 I 7.00 4.43 1.89 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 1.36 0.76 0.92 0.00 0.00 80 V 8.40 3.84 2.11 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 0.69 0.00 0.00 0.95 0.00 0.00