NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7159 8.4249 118.2181 52.5584 39.2888 174.0826 3 Q 4.3189 7.7108 117.5037 55.6880 28.9200 175.6672 4 G 3.8198 8.8750 108.1649 47.1108 0.0000 174.6962 5 K 4.4061 7.7439 118.8548 56.0383 32.7766 177.8976 6 I 3.3197 7.5872 121.9787 63.7729 37.7502 177.1292 7 W 5.3442 7.7844 116.5034 56.6458 28.8913 176.7569 8 T 4.3661 8.0334 109.6543 62.4777 68.9464 175.9057 9 V 4.2268 7.5935 113.7487 61.3695 34.3801 175.7527 10 V 4.1834 8.0955 120.3222 61.0052 32.7602 174.2192 11 N 4.8588 8.7671 125.6816 52.7630 39.6739 173.9116 12 P 4.2911 0.0000 0.0000 65.3552 31.1988 178.1190 13 A 3.9406 8.3722 120.6373 54.6778 18.4558 178.8851 14 I 4.2023 7.5914 117.4434 63.6993 37.9479 178.4471 15 G 3.9129 8.5962 107.0087 47.7502 0.0000 176.0146 16 I 3.7077 7.8322 122.1045 63.8314 37.0976 176.7053 17 P 4.2309 0.0000 0.0000 65.5147 31.0752 178.4696 18 A 4.0056 8.2465 119.6581 54.9392 18.2058 179.3987 19 L 3.9299 8.2550 118.9238 58.5057 42.4162 179.2274 20 L 4.1043 8.3757 119.3986 57.7972 41.5084 179.9022 21 G 3.6496 8.5008 106.0196 47.6288 0.0000 176.0968 22 S 4.1451 8.3739 117.7336 61.4618 62.8468 176.8924 23 V 3.6318 8.0154 121.0024 66.3865 31.1834 178.2062 24 T 3.8914 7.8430 115.0145 66.6037 68.1885 176.8672 25 V 3.6219 8.0312 120.2532 65.9131 31.5432 178.0932 26 I 3.6897 8.2442 119.7749 64.4628 37.0233 178.1675 27 A 4.1401 8.2239 121.5673 55.2966 18.1854 179.7254 28 I 3.7240 8.2232 118.6101 64.5512 37.1789 178.6873 29 L 4.0318 8.2138 120.1142 57.7168 41.3810 179.6830 30 V 3.6080 8.3236 118.5571 66.3836 31.4235 177.7092 31 H 4.2937 8.2938 115.8101 59.1052 28.3832 177.8603 32 L 3.9660 7.9653 119.2480 57.4644 41.7255 179.0900 33 A 4.1788 8.4734 121.1948 55.5202 18.2911 179.8948 34 I 3.6655 8.0573 118.3307 64.2465 36.8657 178.4777 35 L 3.4253 7.9213 120.8298 57.7825 41.8699 178.6392 36 S 4.3078 7.7686 113.4784 59.6876 63.0527 174.5626 37 H 4.7999 7.6640 116.1152 55.1835 29.6152 173.0033 38 T 4.5876 7.2867 109.4928 59.8434 71.4780 173.9430 39 T 4.2126 8.1130 111.3858 62.8940 69.9608 177.0110 40 W 4.4032 7.6689 120.0908 59.0152 28.2485 178.1991 41 F 4.2659 7.0353 121.8710 60.6557 38.8209 175.0985 42 P 3.9427 0.0000 0.0000 66.1149 30.7568 178.0331 43 A 4.2287 8.1642 120.3104 54.7435 18.0129 178.8370 44 Y 4.4393 8.2799 117.8096 61.1141 38.9828 178.3542 45 W 4.3523 7.9104 118.4016 59.7155 29.2594 178.0719 46 Q 4.1448 8.7513 119.3844 58.8868 29.0172 177.8961 47 G 3.7158 9.5672 109.2004 47.4799 0.0000 174.4720 48 G 4.0243 9.0141 107.1542 45.9035 0.0000 174.7508 49 V 4.0504 7.0802 120.4799 60.1460 30.4062 176.0944 50 K 4.0927 8.2600 127.4226 57.8218 33.4006 179.7084 51 K 4.2763 7.7823 122.5886 55.8225 36.6177 175.7101 52 A 4.3460 9.3109 120.4714 52.5385 23.1773 176.4027 53 A 4.1831 7.9284 123.1333 52.0184 18.3831 177.1001 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 2 N 8.42 4.72 0.00 2.84 2.99 0.00 0.00 6.00 6.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 7.71 4.32 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.96 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 4 G 8.87 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 0.00 0.00 0.00 5 K 7.74 4.41 0.00 1.79 1.81 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.40 7.81 6 I 7.59 3.32 1.57 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 -0.04 -0.49 0.00 0.00 7 W 7.78 5.34 0.00 3.37 3.21 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 8 T 8.03 4.37 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 1.29 0.00 0.00 9 V 7.59 4.23 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 0.71 0.00 0.00 0.93 0.00 0.00 10 V 8.10 4.18 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 1.13 0.00 0.00 0.82 0.00 0.00 11 N 8.77 4.86 0.00 2.86 2.77 0.00 0.00 6.97 7.71 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 12 P 0.00 4.29 0.00 1.83 1.44 0.00 3.83 0.00 0.00 4.20 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 13 A 8.37 3.94 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 14 I 7.59 4.20 2.05 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 1.61 0.98 0.96 0.00 0.00 15 G 8.60 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 0.00 0.00 0.00 16 I 7.83 3.71 1.80 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.28 0.80 0.00 0.00 17 P 0.00 4.23 0.00 2.16 2.10 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.13 0.00 18 A 8.25 4.01 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.25 3.93 0.00 2.01 1.98 0.99 0.94 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 20 L 8.38 4.10 0.00 1.85 1.72 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.50 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 0.00 0.00 0.00 22 S 8.37 4.15 0.00 4.09 3.95 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 23 V 8.02 3.63 2.17 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 1.14 0.00 0.00 1.00 0.00 0.00 24 T 7.84 3.89 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 1.24 0.00 0.00 25 V 8.03 3.62 2.30 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 1.15 0.00 0.00 0.99 0.00 0.00 26 I 8.24 3.69 2.05 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 1.48 0.56 0.94 0.00 0.00 27 A 8.22 4.14 1.44 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 0.00 0.00 28 I 8.22 3.72 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.99 0.95 0.00 0.00 29 L 8.21 4.03 0.00 1.87 1.74 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.32 3.61 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 1.11 0.00 0.00 0.99 0.00 0.00 31 H 8.29 4.29 0.00 3.66 3.57 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.97 3.97 0.00 1.66 1.74 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.47 4.18 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 34 I 8.06 3.67 1.93 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 1.40 1.00 0.71 0.00 0.00 35 L 7.92 3.43 0.00 1.08 1.61 -1.08 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.77 4.31 0.00 3.66 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.66 4.80 0.00 3.16 3.22 0.00 5.64 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.29 4.59 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 0.83 0.00 0.00 39 T 8.11 4.21 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 1.21 0.00 0.00 40 W 7.67 4.40 0.00 3.56 3.38 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 41 F 7.04 4.27 0.00 1.85 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 42 P 0.00 3.94 0.00 2.24 2.16 0.00 3.46 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 43 A 8.16 4.23 1.55 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 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 8.28 4.44 0.00 3.13 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.91 4.35 0.00 3.51 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 46 Q 8.75 4.14 0.00 2.15 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.00 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 47 G 9.57 3.72 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 0.00 0.00 0.00 48 G 9.01 4.02 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 0.00 0.00 0.00 49 V 7.08 4.05 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 0.81 0.00 0.00 0.97 0.00 0.00 50 K 8.26 4.09 0.00 1.91 1.77 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.42 1.39 7.81 51 K 7.78 4.28 0.00 1.71 0.91 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.17 1.25 7.81 52 A 9.31 4.35 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 53 A 7.93 4.18 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