NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 M 4.3890 8.3044 120.3486 55.9283 32.1394 173.1859 4 S 4.2710 7.9526 125.4725 56.7540 66.7178 174.3863 5 A 4.2180 8.2927 126.1724 51.6919 26.1171 172.3400 6 K 3.9258 8.3588 122.3436 56.8725 33.3705 175.1994 7 E 3.7228 8.5725 123.5742 57.2153 26.0989 173.0836 8 L 4.4964 7.7048 120.0601 53.8905 43.6321 176.6174 9 R 4.2680 8.2251 119.5358 56.0243 32.4454 173.2454 10 C 4.3565 8.7363 124.6480 56.4416 40.7035 173.6541 11 Q 4.0354 8.9095 126.1608 58.7107 28.7805 174.1497 12 C 4.9537 7.8954 111.0434 53.1137 43.5532 173.6205 13 V 3.8793 8.3297 124.3792 61.7195 32.1224 175.9923 14 K 3.7566 8.3952 124.8285 55.9425 31.4116 174.7148 15 T 4.2482 8.1352 115.9154 63.5853 70.0122 176.3447 16 T 4.3469 8.1915 125.4416 63.0267 67.5679 175.9844 17 S 4.3692 7.6720 115.0653 59.1904 63.2695 174.8770 18 Q 4.0376 7.4586 119.7300 59.3495 28.9105 176.8662 19 V 4.1191 7.1318 115.3358 61.7653 32.5980 175.1058 20 R 4.6177 8.1847 124.3975 53.7714 31.8747 174.2790 21 P 4.4650 0.0000 0.0000 62.6585 31.6138 174.5667 22 R 4.1392 7.5826 130.4240 56.8790 34.7288 174.2544 23 H 4.6562 7.3027 112.1831 55.8237 29.0714 175.0731 24 I 4.1636 7.5847 121.0983 62.1378 37.9931 174.8508 25 T 4.5966 8.4774 110.2642 63.0613 70.9645 174.4272 26 S 4.7404 7.8045 115.8915 57.1486 67.5331 173.1915 27 L 5.0634 8.2880 122.8972 53.7731 45.2202 174.8473 28 E 4.6137 8.9095 123.5010 55.3230 32.4114 175.5920 29 V 4.2800 8.1269 120.0125 61.7817 33.8788 173.9621 30 I 4.4609 8.3860 129.2273 59.5197 39.6659 176.3988 31 K 4.6131 8.3640 126.4852 55.5242 34.2916 175.7995 32 A 4.8891 7.9426 122.9533 51.2670 17.9350 178.3937 33 G 3.9446 8.2792 115.5951 45.7104 0.0000 169.9871 34 P 4.3990 0.0000 0.0000 66.0216 32.1338 178.3325 35 H 4.3180 8.3242 115.2303 56.9774 28.7495 174.8430 36 C 5.1958 7.6902 118.7734 53.8191 43.6435 172.0538 37 P 4.2200 0.0000 0.0000 64.2849 31.6333 177.0878 38 T 4.4587 7.4810 113.2842 60.5096 68.7858 174.0510 39 A 3.9925 8.5119 128.1541 52.5065 19.3051 177.0943 40 Q 4.4776 8.9220 123.8685 53.9631 30.9556 173.2775 41 L 5.0624 8.2487 126.0035 53.7438 43.4647 175.8209 42 I 4.5359 8.2868 122.0770 59.7252 41.1476 173.7423 43 A 4.9768 8.3836 123.3990 51.2880 23.4586 174.8515 44 T 5.5648 8.6528 112.8390 62.3589 73.2587 174.7050 45 L 5.1237 8.1678 125.2220 53.1091 44.5952 176.1206 46 K 4.0555 7.8506 118.5162 60.2502 32.1204 177.9617 47 N 4.5935 8.2527 119.3101 52.1643 37.0869 171.7204 48 G 4.5347 7.8229 114.5503 44.9802 0.0000 170.2671 49 R 4.7736 8.9653 121.9333 54.6566 33.2567 175.0338 50 K 5.4466 8.5842 116.0377 53.6587 35.8456 176.0296 51 I 4.6926 8.0016 118.0579 60.2918 41.1618 174.3275 52 C 5.1665 8.1519 113.1243 55.2754 44.9861 173.4204 53 L 4.9371 8.2418 120.0291 53.7121 44.9002 174.9338 54 D 4.8163 8.4043 119.1485 53.6060 42.9632 176.1614 55 L 3.2644 7.9308 117.4470 54.8555 42.9572 175.8861 56 Q 4.6093 8.1274 112.8823 54.8673 29.9120 174.3559 57 A 4.7974 7.7599 120.7439 49.2798 22.3389 175.4551 58 P 4.4718 0.0000 0.0000 63.6920 31.4403 178.0346 59 L 3.8193 7.6024 121.1888 58.7582 42.2575 178.3175 60 Y 4.2776 8.1774 116.7433 59.4681 38.1331 177.6689 61 K 3.3804 6.9961 120.6555 58.3747 32.0128 178.9375 62 K 4.0640 7.7681 119.1819 59.3062 32.6708 179.2320 63 I 3.7033 7.3907 121.1239 64.3778 37.2824 177.9603 64 I 3.7141 7.8042 120.4106 64.5220 36.9640 178.7998 65 K 3.9779 8.0168 119.2677 59.1745 31.6122 179.2369 66 K 4.0521 7.7718 118.9810 58.8613 32.1491 178.4079 67 L 4.2220 7.5886 118.5665 57.0758 41.5311 178.7415 68 L 4.1687 7.8468 119.5985 57.4206 41.4459 178.7775 69 E 3.9783 7.8953 117.0512 58.6322 29.1626 177.3066 70 S 4.3136 7.6036 117.5928 58.2117 63.1602 173.5839 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 3 M 8.30 4.39 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 4 S 7.95 4.27 0.00 3.89 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 5 A 8.29 4.22 1.21 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 6 K 8.36 3.93 0.00 1.90 1.83 0.00 1.93 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.44 7.81 7 E 8.57 3.72 0.00 2.13 1.95 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 2.22 2.25 0.00 8 L 7.70 4.50 0.00 1.53 1.59 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.23 4.27 0.00 1.80 1.83 0.00 3.27 0.00 0.00 3.24 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 10 C 8.74 4.36 0.00 2.86 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 11 Q 8.91 4.04 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.61 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 12 C 7.90 4.95 0.00 3.07 3.02 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 0.00 0.00 0.00 13 V 8.33 3.88 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 0.69 0.00 0.00 0.92 0.00 0.00 14 K 8.40 3.76 0.00 1.91 1.85 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.43 7.81 15 T 8.14 4.25 4.24 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 1.27 0.00 0.00 16 T 8.19 4.35 4.40 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 1.21 0.00 0.00 17 S 7.67 4.37 0.00 3.87 3.85 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 0.00 0.00 0.00 18 Q 7.46 4.04 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 19 V 7.13 4.12 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 0.80 0.00 0.00 0.94 0.00 0.00 20 R 8.18 4.62 0.00 1.85 1.83 0.00 3.26 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 21 P 0.00 4.46 0.00 2.17 2.07 0.00 3.83 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 22 R 7.58 4.14 0.00 1.68 1.49 0.00 3.23 0.00 0.00 3.12 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.36 0.00 23 H 7.30 4.66 0.00 3.18 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.58 4.16 1.89 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 1.57 0.76 0.92 0.00 0.00 25 T 8.48 4.60 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 1.25 0.00 0.00 26 S 7.80 4.74 0.00 3.77 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 27 L 8.29 5.06 0.00 1.62 1.50 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.91 4.61 0.00 2.10 2.05 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 2.23 2.37 0.00 29 V 8.13 4.28 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 0.86 0.00 0.00 0.94 0.00 0.00 30 I 8.39 4.46 2.05 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 1.12 0.98 0.92 0.00 0.00 31 K 8.36 4.61 0.00 1.76 1.74 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.42 7.81 32 A 7.94 4.89 1.27 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 0.00 0.00 33 G 8.28 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.40 0.00 2.25 2.31 0.00 3.78 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 2.05 1.94 0.00 35 H 8.32 4.32 0.00 3.54 3.59 0.00 5.42 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 C 7.69 5.20 0.00 2.56 2.80 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 37 P 0.00 4.22 0.00 2.21 2.16 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 38 T 7.48 4.46 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 39 A 8.51 3.99 1.16 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 0.00 0.00 40 Q 8.92 4.48 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.71 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 41 L 8.25 5.06 0.00 1.78 1.66 0.80 0.49 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 42 I 8.29 4.54 2.07 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 1.15 0.93 1.02 0.00 0.00 43 A 8.38 4.98 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.65 5.56 4.24 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 1.30 0.00 0.00 45 L 8.17 5.12 0.00 1.62 1.63 0.94 0.98 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 46 K 7.85 4.06 0.00 1.89 1.87 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.63 7.81 47 N 8.25 4.59 0.00 2.75 2.78 0.00 0.00 6.94 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 48 G 7.82 4.53 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 0.00 0.00 0.00 49 R 8.97 4.77 0.00 1.95 2.05 0.00 2.74 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 50 K 8.58 5.45 0.00 1.58 1.79 0.00 1.63 0.00 0.00 2.42 0.00 0.00 2.91 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.34 1.36 7.81 51 I 8.00 4.69 1.88 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 1.41 0.67 0.92 0.00 0.00 52 C 8.15 5.17 0.00 3.27 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 53 L 8.24 4.94 0.00 1.60 1.65 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.40 4.82 0.00 2.65 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.93 3.26 0.00 1.02 1.22 0.54 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 8.13 4.61 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.56 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 57 A 7.76 4.80 1.28 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 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.47 0.00 2.26 2.28 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 59 L 7.60 3.82 0.00 1.96 1.79 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.18 4.28 0.00 3.28 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 61 K 7.00 3.38 0.00 1.55 1.68 0.00 1.53 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.91 1.08 7.81 62 K 7.77 4.06 0.00 1.97 2.26 0.00 1.29 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.45 7.81 63 I 7.39 3.70 2.05 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.56 0.95 0.00 0.00 64 I 7.80 3.71 1.71 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 1.58 0.59 0.89 0.00 0.00 65 K 8.02 3.98 0.00 1.89 1.81 0.00 1.62 0.00 0.00 1.52 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.50 7.81 66 K 7.77 4.05 0.00 1.84 2.00 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.46 7.81 67 L 7.59 4.22 0.00 1.85 1.70 0.92 1.05 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 68 L 7.85 4.17 0.00 1.83 1.69 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 69 E 7.90 3.98 0.00 2.10 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 0.00 2.30 2.44 0.00 70 S 7.60 4.31 0.00 3.96 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