NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4664 8.2993 120.0194 56.3690 34.8114 176.3943 3 P 4.6965 0.0000 0.0000 62.4858 29.9628 174.7374 4 S 4.6341 8.7021 110.3024 58.0595 63.2282 176.6021 5 E 3.9192 8.1619 121.2307 58.2996 29.5521 176.3386 6 M 4.4475 7.6973 117.4769 55.8255 32.3891 176.6073 7 R 4.2321 7.3020 118.0217 57.1213 30.9995 176.0450 8 N 4.8476 7.4678 115.2030 51.8579 38.8984 175.7673 9 L 4.1454 7.4592 119.0732 54.6489 43.1439 172.7638 10 Q 4.4865 8.0313 123.5979 54.8966 29.7138 174.8911 11 A 4.4314 8.9116 124.8943 51.4122 21.2081 176.1815 12 T 3.5499 8.1624 106.6295 64.3283 67.2366 170.7288 13 D 4.7922 7.7186 123.9282 56.3712 43.9952 178.3727 14 F 4.1789 8.2366 119.1327 59.3674 39.8072 176.2883 15 A 4.1331 8.2954 122.6045 55.2127 18.2621 177.9979 16 K 4.4481 7.6060 112.6681 56.0252 32.8960 177.2884 17 E 3.7626 8.1618 120.7876 58.8416 28.4212 179.0929 18 I 3.6760 7.4677 119.5418 64.1217 37.3268 177.2730 19 D 4.5002 7.7511 118.3940 56.1227 42.3222 177.3940 20 A 4.5860 6.8972 122.2130 51.5537 17.8370 179.4131 21 R 3.9618 9.0483 120.8849 61.6409 30.1210 176.0678 22 K 4.4784 7.0690 117.5321 54.3684 30.4676 174.6105 23 K 4.7060 7.6544 119.3518 57.1600 38.2987 176.4861 24 E 4.6068 7.9699 117.0221 56.0843 30.7543 175.9779 25 L 4.3133 7.9502 119.9299 55.3336 42.9484 176.9951 26 M 4.2020 7.6476 116.7832 57.2801 32.6316 176.2100 27 E 4.3590 7.0246 116.7173 55.6506 29.9668 176.7520 28 L 3.8693 6.8996 114.5542 55.2528 46.8796 175.9367 29 R 4.2427 7.0083 117.4328 56.2772 30.4565 175.9062 30 F 4.5967 6.9652 109.8866 57.0121 38.6209 174.4078 31 Q 4.1170 8.5665 119.8932 55.9563 29.0797 173.7691 32 A 3.5884 8.9897 130.1673 52.2946 18.4453 176.8147 33 A 4.0647 8.5513 120.0878 53.0750 15.7662 177.8565 34 A 4.7870 7.1474 118.8364 52.4543 20.8149 178.7593 35 G 4.7266 7.1449 114.1567 45.5835 0.0000 172.5783 36 Q 4.2643 8.6615 123.8679 57.0385 29.9484 177.1985 37 L 4.7303 7.6841 113.8781 53.6538 44.7266 176.6810 38 A 4.2309 8.2537 124.6912 52.8377 17.6152 179.4118 39 Q 4.5884 8.9201 121.4151 55.0151 29.6434 172.9251 40 P 4.2949 0.0000 0.0000 65.8292 32.0560 176.6115 41 H 4.3036 7.5881 117.9165 56.1115 28.9109 175.0893 42 R 5.5373 7.3493 135.0000 56.6826 33.2036 173.2044 43 V 4.3696 7.3097 117.3270 63.8032 32.5324 176.0732 44 R 4.3839 9.0193 116.7053 55.9487 30.2237 175.0676 45 Q 4.5169 7.5425 113.0096 55.0976 31.3769 174.2067 46 L 5.0786 7.0214 116.7029 54.7528 44.5683 174.2187 47 R 4.6231 7.7775 113.2647 56.3376 33.8722 176.0385 48 R 4.5898 7.8856 118.2225 55.8404 30.2468 177.3392 49 E 4.2248 8.1542 116.3191 58.6278 29.9894 177.6965 50 V 4.5395 6.8035 114.9652 59.9629 32.6935 172.5269 51 A 4.2648 8.1005 122.0190 52.1842 21.8640 177.5404 52 Q 3.7249 9.1298 118.1336 56.7492 27.6663 173.8287 53 L 4.7293 7.7854 115.3983 54.6840 43.0906 176.3440 54 N 4.9327 8.1272 115.2414 53.0385 39.2087 174.1745 55 T 4.4892 7.6751 107.6022 60.1929 71.3563 173.6417 56 V 3.4051 8.2649 112.2022 61.7451 29.0803 174.2978 57 K 4.5402 7.8134 114.5303 56.9988 36.1685 176.0481 58 A 4.6217 7.2603 120.6399 51.9974 19.1626 175.3570 59 E 4.9077 7.6770 115.8971 57.1634 31.3725 175.3869 60 L 4.2740 7.4623 125.7526 55.5691 46.0871 175.2745 61 A 4.3452 8.1090 117.4848 53.0596 18.3467 178.1909 62 R 3.9726 7.8383 114.9051 57.6416 30.2487 176.6259 63 K 4.0854 7.6809 117.5246 56.9355 32.8464 176.6149 64 G 3.8259 8.8578 113.8774 45.0321 0.0000 173.9146 65 E 4.7344 9.1517 115.0595 54.8381 34.2118 174.9449 66 Q 4.2397 8.5577 118.8977 56.3393 28.8019 175.3634 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 K 8.30 4.47 0.00 1.91 1.93 0.00 1.57 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.40 7.81 3 P 0.00 4.70 0.00 2.29 1.76 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 4 S 8.70 4.63 0.00 3.86 3.83 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 5 E 8.16 3.92 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 6 M 7.70 4.45 0.00 1.85 1.84 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.39 0.00 7 R 7.30 4.23 0.00 1.97 1.91 0.00 3.26 0.00 0.00 3.14 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 8 N 7.47 4.85 0.00 2.64 2.67 0.00 0.00 6.79 7.78 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 9 L 7.46 4.15 0.00 1.58 1.52 0.93 0.80 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 10 Q 8.03 4.49 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.30 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 11 A 8.91 4.43 1.25 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 0.00 0.00 0.00 12 T 8.16 3.55 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 1.23 0.00 0.00 13 D 7.72 4.79 0.00 2.79 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 14 F 8.24 4.18 0.00 3.06 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 15 A 8.30 4.13 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.61 4.45 0.00 1.79 1.67 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.27 1.29 7.81 17 E 8.16 3.76 0.00 1.16 1.12 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 0.00 1.95 1.68 0.00 18 I 7.47 3.68 1.83 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.63 0.90 0.00 0.00 19 D 7.75 4.50 0.00 2.59 2.85 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 20 A 6.90 4.59 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 9.05 3.96 0.00 1.81 1.98 0.00 3.26 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.56 0.00 22 K 7.07 4.48 0.00 1.63 1.96 0.00 1.66 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.39 7.81 23 K 7.65 4.71 0.00 1.94 1.75 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.61 7.81 24 E 7.97 4.61 0.00 2.08 1.76 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 2.17 2.20 0.00 25 L 7.95 4.31 0.00 1.85 1.56 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 26 M 7.65 4.20 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 27 E 7.02 4.36 0.00 1.83 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 0.00 2.17 2.34 0.00 28 L 6.90 3.87 0.00 1.52 1.52 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.01 4.24 0.00 1.96 2.02 0.00 3.25 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 30 F 6.97 4.60 0.00 3.02 3.07 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 31 Q 8.57 4.12 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.10 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 32 A 8.99 3.59 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 33 A 8.55 4.06 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 34 A 7.15 4.79 1.61 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 0.00 0.00 35 G 7.14 4.73 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 0.00 0.00 0.00 36 Q 8.66 4.26 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 37 L 7.68 4.73 0.00 1.62 1.70 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.25 4.23 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.92 4.59 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.64 0.00 0.00 0.00 0.00 0.00 2.49 2.37 0.00 40 P 0.00 4.29 0.00 2.08 2.20 0.00 3.79 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 41 H 7.59 4.30 0.00 3.20 3.28 0.00 5.87 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.35 5.54 0.00 1.87 1.87 0.00 3.49 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.37 0.00 43 V 7.31 4.37 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.97 0.00 0.00 44 R 9.02 4.38 0.00 1.80 1.87 0.00 3.24 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 45 Q 7.54 4.52 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.39 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 46 L 7.02 5.08 0.00 1.64 1.55 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.78 4.62 0.00 1.79 1.87 0.00 3.37 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.55 0.00 48 R 7.89 4.59 0.00 1.87 1.85 0.00 3.23 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 49 E 8.15 4.22 0.00 2.15 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 0.00 2.28 2.26 0.00 50 V 6.80 4.54 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 1.13 0.00 0.00 51 A 8.10 4.26 1.23 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 0.00 0.00 0.00 52 Q 9.13 3.72 0.00 2.34 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.96 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 53 L 7.79 4.73 0.00 1.59 1.57 1.04 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.13 4.93 0.00 2.66 2.77 0.00 0.00 6.91 7.54 0.00 0.00 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 T 7.68 4.49 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 1.18 0.00 0.00 56 V 8.26 3.41 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 0.63 0.00 0.00 0.89 0.00 0.00 57 K 7.81 4.54 0.00 1.66 1.80 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.47 7.81 58 A 7.26 4.62 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 59 E 7.68 4.91 0.00 1.86 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 2.06 2.15 0.00 60 L 7.46 4.27 0.00 1.56 1.59 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.11 4.35 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 62 R 7.84 3.97 0.00 1.80 1.99 0.00 3.21 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 63 K 7.68 4.09 0.00 1.69 1.81 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.57 7.81 64 G 8.86 3.83 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 0.00 0.00 0.00 65 E 9.15 4.73 0.00 1.91 1.80 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 2.21 2.24 0.00 66 Q 8.56 4.24 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.65 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00