NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 K 4.2488 8.3144 121.7912 56.8731 33.3007 173.3618 14 S 4.2672 7.9798 114.3787 57.2286 65.2806 171.0745 15 I 4.9137 7.9822 122.4897 59.7805 42.5571 173.8898 16 W 5.9014 8.4681 121.4010 55.8080 33.3713 174.0121 17 C 4.9027 8.5993 117.8446 58.6272 32.7000 173.4232 18 S 4.7454 8.7767 115.3313 57.1889 63.1832 173.1549 19 P 4.4127 0.0000 0.0000 66.3569 30.8498 178.7213 20 Q 3.6479 8.2746 115.9148 59.0670 28.3218 178.8712 21 E 4.1588 8.6263 119.2982 59.1831 29.3192 179.1101 22 I 3.9276 7.7307 119.5720 64.6075 37.1796 177.9933 23 M 4.2833 8.9659 118.0920 58.2181 30.8853 177.7702 24 A 4.1828 7.4809 118.5177 52.9011 19.0342 177.3490 25 A 4.2124 8.7120 119.4469 51.0435 19.6951 177.3703 26 D 4.4628 8.3353 119.9378 55.4869 41.5159 178.1848 27 G 4.0667 8.7191 108.9616 46.0825 0.0000 174.0012 28 M 4.4698 7.4742 118.1414 53.6629 32.8336 174.2826 29 P 4.0041 0.0000 0.0000 65.6051 31.8039 176.8105 30 G 4.1718 7.9337 106.0537 45.7840 0.0000 173.8604 31 S 4.6634 7.8981 113.8428 55.1903 66.8204 174.5455 32 V 3.5409 8.5188 123.5233 66.4771 31.3177 178.3714 33 A 4.2006 8.0773 119.9476 54.9600 18.2750 179.3214 34 G 3.7063 7.7692 104.5060 48.1073 0.0000 175.8743 35 V 3.5303 7.6897 120.3456 66.2019 31.6184 177.7535 36 H 3.9498 7.6479 115.1449 59.6856 28.4640 175.9005 37 Y 3.8147 8.0206 121.3383 60.6312 37.7796 178.0705 38 R 3.7199 8.0279 116.7793 59.0982 30.4124 178.7058 39 A 2.5800 6.8159 120.7430 54.8551 17.9491 179.5156 40 N 4.1802 7.4920 113.8480 55.8571 37.5899 177.3496 41 V 3.5490 7.2457 119.7541 65.6819 31.7140 177.6194 42 Q 4.2506 9.0256 116.7523 55.9584 29.5989 175.6840 43 G 3.7410 8.1296 107.1589 45.8655 0.0000 174.0949 44 W 4.4906 7.8318 117.2697 56.7597 30.3879 177.0695 45 T 4.6466 8.1555 118.4359 63.6806 69.4346 173.7413 46 K 5.4399 8.7616 122.1769 55.6547 35.9135 175.3698 47 R 4.0477 8.8329 125.1407 54.1746 31.1926 175.3190 48 K 4.2838 8.3438 127.1896 56.7683 33.0528 177.2924 49 K 4.2371 8.5057 125.1177 56.3534 33.0167 176.2840 50 E 4.4155 8.6789 117.8850 58.2380 31.7367 178.7206 51 G 3.8771 8.2238 105.5284 47.8335 0.0000 173.3403 52 V 3.9506 7.3480 119.7099 61.3401 32.4239 175.7703 53 K 3.8753 8.5533 126.0300 57.3636 32.6542 178.4165 54 G 3.6711 9.2632 109.6751 45.2015 0.0000 176.5887 55 G 3.9588 8.7677 106.2027 46.1247 0.0000 175.5330 56 K 3.9900 8.0520 118.1369 58.3584 32.5725 177.2939 57 A 4.1761 7.4303 122.7747 52.3191 19.0873 177.0764 58 V 4.8531 8.1408 115.0649 59.7947 35.8855 175.2570 59 E 4.6317 9.0059 124.2715 55.7409 32.0966 174.5641 60 Y 5.4668 8.6515 117.9022 56.2668 42.0352 175.2420 61 D 4.3406 8.8098 122.2971 52.9530 41.2945 177.2425 62 V 3.5164 8.1461 127.3237 65.9007 31.7328 177.2544 63 M 4.2198 8.5294 117.9147 56.2040 31.7531 176.6596 64 S 4.4646 7.7338 112.9014 58.2831 64.5322 174.6980 65 M 3.6202 6.9462 120.4231 53.7884 32.4571 174.6225 66 P 4.1047 0.0000 0.0000 63.0775 33.0094 177.0291 67 T 3.7907 8.6268 119.4691 67.0118 68.3236 176.3775 68 K 3.8576 8.0671 119.2436 59.7831 32.0477 178.9031 69 E 3.9448 8.0770 117.9485 59.4752 29.0595 179.2354 70 R 3.8022 8.3837 118.3159 59.6116 30.1663 178.8411 71 E 4.0114 7.9164 117.8832 59.4477 29.3892 179.5172 72 Q 3.9843 7.7098 118.2135 58.8586 28.2231 179.0404 73 V 3.5506 8.0302 119.4239 66.2102 31.6176 177.9841 74 I 3.9515 8.7971 120.2174 64.4765 36.6868 178.3556 75 A 3.8940 8.1645 121.0305 55.3294 18.3642 178.8305 76 H 4.2145 8.4802 116.1086 59.3988 29.9838 177.2323 77 L 4.1692 9.0792 120.7099 55.5744 41.7586 177.6496 78 G 3.7552 8.8722 106.5206 46.3471 0.0000 174.2387 79 L 4.0628 7.5970 118.9740 51.2661 42.6801 182.1498 80 S 3.5846 8.1794 121.3372 58.7228 63.2429 172.7352 81 T 4.0206 8.0867 109.2955 62.6975 68.1643 173.6442 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 13 K 8.31 4.25 0.00 1.74 1.81 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.48 7.81 14 S 7.98 4.27 0.00 3.90 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 15 I 7.98 4.91 1.70 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 1.35 1.02 0.90 0.00 0.00 16 W 8.47 5.90 0.00 3.10 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 17 C 8.60 4.90 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 18 S 8.78 4.75 0.00 3.90 3.77 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 0.00 0.00 0.00 19 P 0.00 4.41 0.00 2.27 2.22 0.00 3.74 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.50 0.00 20 Q 8.27 3.65 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.95 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 21 E 8.63 4.16 0.00 2.15 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 2.40 2.55 0.00 22 I 7.73 3.93 2.05 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.96 1.01 0.00 0.00 23 M 8.97 4.28 0.00 2.31 2.38 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.59 0.00 24 A 7.48 4.18 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 25 A 8.71 4.21 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 26 D 8.34 4.46 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 27 G 8.72 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.47 4.47 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.87 0.00 29 P 0.00 4.00 0.00 2.02 2.03 0.00 3.73 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 2.09 2.11 0.00 30 G 7.93 4.17 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 0.00 0.00 0.00 31 S 7.90 4.66 0.00 3.99 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 32 V 8.52 3.54 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 1.17 0.00 0.00 0.96 0.00 0.00 33 A 8.08 4.20 1.36 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 34 G 7.77 3.71 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 0.00 35 V 7.69 3.53 2.22 0.00 0.00 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 1.03 0.00 0.00 36 H 7.65 3.95 0.00 3.42 3.31 0.00 5.68 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 8.02 3.81 0.00 3.02 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 38 R 8.03 3.72 0.00 1.40 1.86 0.00 3.28 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 39 A 6.82 2.58 0.43 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 40 N 7.49 4.18 0.00 2.75 2.86 0.00 0.00 6.74 7.55 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 41 V 7.25 3.55 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 0.75 0.00 0.00 0.43 0.00 0.00 42 Q 9.03 4.25 0.00 2.29 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.26 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 43 G 8.13 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 44 W 7.83 4.49 0.00 3.17 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 T 8.16 4.65 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 1.56 0.00 0.00 46 K 8.76 5.44 0.00 1.65 1.99 0.00 1.61 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.44 7.81 47 R 8.83 4.05 0.00 0.67 1.30 0.00 2.66 0.00 0.00 2.42 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.17 0.00 48 K 8.34 4.28 0.00 1.73 1.76 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.36 7.81 49 K 8.51 4.24 0.00 1.84 1.75 0.00 1.63 0.00 0.00 1.94 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.36 7.81 50 E 8.68 4.42 0.00 1.93 1.87 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 2.23 2.21 0.00 51 G 8.22 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 0.00 0.00 0.00 52 V 7.35 3.95 2.07 0.00 0.00 0.00 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 0.93 0.00 0.00 53 K 8.55 3.88 0.00 1.85 1.76 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.47 7.81 54 G 9.26 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 55 G 8.77 3.96 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 0.00 0.00 0.00 56 K 8.05 3.99 0.00 1.76 1.88 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.52 7.81 57 A 7.43 4.18 1.30 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 0.00 0.00 58 V 8.14 4.85 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 0.86 0.00 0.00 0.68 0.00 0.00 59 E 9.01 4.63 0.00 2.03 2.21 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 2.42 2.29 0.00 60 Y 8.65 5.47 0.00 3.22 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 61 D 8.81 4.34 0.00 1.58 2.18 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 62 V 8.15 3.52 1.91 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 0.75 0.00 0.00 0.85 0.00 0.00 63 M 8.53 4.22 0.00 1.85 2.10 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 64 S 7.73 4.46 0.00 3.78 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 65 M 6.95 3.62 0.00 1.62 1.72 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.98 0.00 66 P 0.00 4.10 0.00 2.14 2.02 0.00 3.54 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 67 T 8.63 3.79 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 1.18 0.00 0.00 68 K 8.07 3.86 0.00 1.78 1.86 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.54 7.81 69 E 8.08 3.94 0.00 2.14 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 2.41 2.40 0.00 70 R 8.38 3.80 0.00 1.89 1.91 0.00 3.00 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 71 E 7.92 4.01 0.00 2.05 1.98 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 2.45 2.48 0.00 72 Q 7.71 3.98 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.83 0.00 0.00 0.00 0.00 0.00 2.67 2.62 0.00 73 V 8.03 3.55 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 1.09 0.00 0.00 0.93 0.00 0.00 74 I 8.80 3.95 1.99 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.59 0.91 0.00 0.00 75 A 8.16 3.89 1.31 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 0.00 0.00 76 H 8.48 4.21 0.00 3.15 3.52 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 9.08 4.17 0.00 1.89 1.71 0.92 1.00 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 78 G 8.87 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 0.00 0.00 0.00 79 L 7.60 4.06 0.00 1.62 1.51 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.18 3.58 0.00 4.12 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 81 T 8.09 4.02 4.23 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 0.00 0.00 0.00 1.20 0.00 0.00