NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.1635 8.2601 123.5753 51.6298 20.0860 176.6492 5 A 4.1353 7.9595 123.2746 51.8798 19.5295 177.2828 6 D 4.6635 8.9972 120.3191 51.8135 39.1251 175.1058 7 T 3.8668 7.6281 116.6194 63.9997 69.5567 172.8965 8 P 4.4549 0.0000 0.0000 62.8641 32.1443 175.5224 9 T 4.4590 8.1203 109.8979 59.6187 70.4632 174.3491 10 A 4.1851 8.6095 128.3810 52.4042 19.0165 177.3817 11 C 4.9604 8.5415 119.6150 55.1164 43.7717 174.0451 12 C 4.6972 8.2115 119.6796 55.6609 41.1493 173.8373 13 F 4.4015 8.3912 121.3662 57.3916 40.3150 175.2997 14 S 4.2944 7.2902 113.0112 57.2043 65.4004 172.8818 15 Y 5.0139 7.9007 118.1452 55.9915 40.7686 175.7430 16 T 4.1679 8.6927 117.3744 62.8434 68.1241 173.9957 17 S 4.6501 8.6893 120.0835 59.1430 64.1697 175.0759 18 R 4.5668 7.5818 115.0956 53.5550 31.3756 175.5491 19 Q 2.5200 7.8272 119.0807 55.1654 29.0025 175.9594 20 I 3.6671 6.8923 122.9138 60.1272 37.9176 173.9474 21 P 3.8731 0.0000 0.0000 62.9208 31.6739 176.4934 22 Q 3.2438 8.9760 124.9759 59.2383 28.7837 178.4421 23 N 4.4839 7.8205 109.8804 53.6141 37.1987 175.0341 24 F 5.0222 7.9976 119.2090 58.6190 40.8482 176.1750 25 I 4.1681 7.8237 121.8057 61.5241 37.1638 175.4137 26 A 4.6829 8.8378 126.6728 52.5639 21.2278 175.3050 27 D 4.6996 7.9995 113.5000 54.9978 44.7609 174.0804 28 Y 5.3869 8.6454 116.9173 56.3752 40.7970 173.2962 29 F 4.0060 8.2288 114.8012 55.9440 42.0804 171.9303 30 E 5.1505 8.7308 119.7155 54.5089 31.1581 175.6159 31 T 4.3720 8.7412 117.4289 61.0618 70.1889 174.4980 32 S 4.2185 8.7774 117.5948 58.5540 62.8878 175.6023 33 S 4.2592 8.5616 120.2777 61.0694 62.9715 175.6555 34 Q 4.1125 8.2663 120.1323 58.4600 28.6154 176.2563 35 C 4.5095 8.3255 116.1364 57.0987 40.9514 175.6001 36 S 3.8768 7.8586 120.5448 60.9093 62.8673 174.7803 37 K 4.6979 7.0162 118.3690 53.3553 35.2297 174.7629 38 P 4.4331 0.0000 0.0000 63.2856 32.0857 175.4677 39 G 4.1732 7.8644 104.1918 45.7793 0.0000 172.2580 40 V 4.7422 8.0707 120.4927 60.7441 34.7897 174.3157 41 I 4.6141 8.0288 128.5751 59.5700 39.0811 175.2714 42 F 5.0850 8.8009 126.3865 56.8577 41.0133 174.4859 43 L 5.3498 9.1441 123.3767 53.6823 44.7969 176.0501 44 T 4.9719 8.6174 116.4868 60.0532 70.9298 175.9794 45 K 3.9371 9.0667 122.1107 59.1053 32.1017 178.4148 46 R 4.2601 7.8716 115.1779 56.3093 30.8000 176.9966 47 S 4.6130 8.2462 113.8123 58.0472 61.5918 169.1884 48 R 4.1789 7.7440 117.4725 56.1237 29.9505 175.5141 49 Q 4.9831 8.4444 119.9052 55.2882 30.5744 175.6012 50 V 4.4444 8.4619 122.3369 61.5229 34.9886 173.6197 51 C 5.1084 9.0307 125.7565 57.1444 36.5709 172.6194 52 A 5.1892 8.8868 123.6058 50.2498 22.9685 174.9137 53 D 3.5129 8.4513 121.3430 52.8055 41.5294 175.2308 54 P 4.2731 0.0000 0.0000 64.2236 32.0449 177.5853 55 S 4.1141 8.1674 115.9325 61.3366 62.8748 175.6280 56 E 3.9571 7.5833 119.6884 56.6462 30.8950 177.9672 57 E 3.9925 8.6588 121.1292 58.5951 30.1481 179.1083 58 W 4.2490 8.0381 117.4731 59.4066 28.0077 178.6774 59 V 3.0027 6.3397 112.7327 63.9899 31.0097 178.1656 60 Q 3.8779 7.4096 117.5947 58.7531 28.5018 178.7413 61 K 3.8695 8.3688 120.8690 60.0992 32.1331 178.3963 62 Y 4.1456 8.3555 116.8135 60.9747 37.6413 178.4865 63 V 3.1203 8.0895 119.2582 65.8514 31.5043 177.5801 64 S 4.0464 7.8944 112.6344 62.0370 61.9899 176.3747 65 D 4.3478 8.1120 119.7036 57.0198 40.5262 178.7046 66 L 4.1894 7.4893 118.8985 57.8970 41.8453 179.0162 67 E 4.2749 8.4632 118.7447 59.3422 29.1660 178.8329 68 L 4.4984 7.8406 116.6831 54.7355 42.0153 177.2266 69 S 4.2014 7.7773 120.1155 58.6804 63.1702 173.5490 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 4 A 8.26 4.16 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 5 A 7.96 4.14 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 6 D 9.00 4.66 0.00 2.77 2.72 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 7 T 7.63 3.87 4.22 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 1.19 0.00 0.00 8 P 0.00 4.45 0.00 2.20 2.07 0.00 3.75 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 2.00 1.97 0.00 9 T 8.12 4.46 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 10 A 8.61 4.19 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 11 C 8.54 4.96 0.00 2.76 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.21 4.70 0.00 2.79 2.71 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 13 F 8.39 4.40 0.00 2.99 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 14 S 7.29 4.29 0.00 3.88 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 15 Y 7.90 5.01 0.00 3.03 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 16 T 8.69 4.17 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 17 S 8.69 4.65 0.00 3.93 3.91 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 18 R 7.58 4.57 0.00 1.75 1.82 0.00 3.20 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.46 0.00 19 Q 7.83 2.52 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.96 0.00 0.00 0.00 0.00 0.00 1.81 1.74 0.00 20 I 6.89 3.67 1.88 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.49 1.06 0.00 0.00 21 P 0.00 3.87 0.00 0.49 1.38 0.00 3.51 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.75 0.00 22 Q 8.98 3.24 0.00 1.21 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.09 0.00 0.00 0.00 0.00 0.00 2.11 1.84 0.00 23 N 7.82 4.48 0.00 2.89 2.83 0.00 0.00 5.89 7.43 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 24 F 8.00 5.02 0.00 3.17 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 25 I 7.82 4.17 1.92 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 1.34 0.71 1.13 0.00 0.00 26 A 8.84 4.68 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 27 D 8.00 4.70 0.00 2.81 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 28 Y 8.65 5.39 0.00 2.73 3.03 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 0.00 0.00 0.00 29 F 8.23 4.01 0.00 2.78 2.84 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 0.00 0.00 0.00 30 E 8.73 5.15 0.00 2.10 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 2.23 2.37 0.00 31 T 8.74 4.37 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 1.16 0.00 0.00 32 S 8.78 4.22 0.00 3.88 3.79 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 0.00 0.00 0.00 0.00 33 S 8.56 4.26 0.00 4.01 3.99 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 34 Q 8.27 4.11 0.00 2.03 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 35 C 8.33 4.51 0.00 2.94 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 36 S 7.86 3.88 0.00 3.89 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 37 K 7.02 4.70 0.00 1.62 1.73 0.00 1.77 0.00 0.00 1.82 0.00 0.00 3.21 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.37 7.81 38 P 0.00 4.43 0.00 2.14 2.04 0.00 3.85 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 2.00 1.95 0.00 39 G 7.86 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 40 V 8.07 4.74 1.67 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 0.28 0.00 0.00 0.76 0.00 0.00 41 I 8.03 4.61 0.79 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.60 0.59 0.00 0.00 42 F 8.80 5.09 0.00 3.16 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 43 L 9.14 5.35 0.00 1.82 1.61 1.01 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.62 4.97 4.30 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 1.39 0.00 0.00 45 K 9.07 3.94 0.00 1.71 1.93 0.00 1.70 0.00 0.00 1.87 0.00 0.00 3.15 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.51 7.81 46 R 7.87 4.26 0.00 1.76 1.94 0.00 3.29 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 47 S 8.25 4.61 0.00 3.94 4.35 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 48 R 7.74 4.18 0.00 2.05 2.08 0.00 2.78 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 49 Q 8.44 4.98 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 50 V 8.46 4.44 2.33 0.00 0.00 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 1.06 0.00 0.00 51 C 9.03 5.11 0.00 2.99 3.10 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 52 A 8.89 5.19 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 53 D 8.45 3.51 0.00 1.80 2.40 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 54 P 0.00 4.27 0.00 2.08 1.99 0.00 3.41 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.87 0.00 55 S 8.17 4.11 0.00 3.88 3.86 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 56 E 7.58 3.96 0.00 1.83 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 2.52 2.33 0.00 57 E 8.66 3.99 0.00 2.16 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 0.00 2.38 2.40 0.00 58 W 8.04 4.25 0.00 3.28 3.26 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 0.00 59 V 6.34 3.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.54 0.00 0.00 0.65 0.00 0.00 60 Q 7.41 3.88 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 61 K 8.37 3.87 0.00 2.02 2.19 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.17 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.77 7.81 62 Y 8.36 4.15 0.00 3.21 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 63 V 8.09 3.12 2.13 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 0.60 0.00 0.00 0.49 0.00 0.00 64 S 7.89 4.05 0.00 3.92 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 65 D 8.11 4.35 0.00 2.64 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.49 4.19 0.00 1.85 1.90 1.21 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.46 4.27 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 2.48 2.58 0.00 68 L 7.84 4.50 0.00 1.62 1.69 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.78 4.20 0.00 3.89 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