NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3495 8.2649 123.5866 51.9806 19.6296 175.9270 3 R 4.4028 7.4102 121.8936 53.1550 32.7201 176.4772 4 K 3.9266 9.2410 123.9140 59.8280 33.0491 178.3579 5 A 4.2602 8.0741 119.1774 54.2923 18.4254 177.6501 6 L 4.6756 8.7784 115.2643 55.0837 43.5778 177.9013 7 I 4.3415 8.1394 118.6405 61.4566 37.0518 176.6863 8 E 4.1031 8.1562 121.1371 58.6504 30.1758 178.9743 9 K 3.8022 8.0249 120.4132 60.0160 32.2523 177.6751 10 A 3.8592 7.6202 119.8349 54.5859 18.8477 177.8325 11 K 3.6895 8.1983 115.3924 57.4005 31.9024 176.0719 12 R 3.4723 8.4133 121.7694 59.4819 30.3972 175.9905 13 T 3.8090 7.0598 126.3029 63.3506 67.3814 171.1870 14 P 4.4376 0.0000 0.0000 62.4933 32.7687 175.7008 15 K 4.0386 9.4954 118.6475 56.1451 31.0275 176.3963 16 F 4.9618 7.5617 116.1264 55.5871 42.7414 175.1724 17 K 3.9682 9.1191 125.2172 59.8619 32.4626 178.5060 18 V 3.8098 8.0071 113.0903 64.5383 31.6187 177.9762 19 R 4.2671 7.9903 114.9549 57.2363 29.8058 176.6214 20 A 4.3833 7.6029 122.0442 51.7270 19.3864 176.6353 21 Y 4.9687 7.5284 117.5643 55.3280 40.5802 174.5893 22 T 3.7415 8.1530 116.9415 63.4641 69.1302 170.7047 23 R 4.3744 8.0669 128.2803 55.4271 30.7927 176.1690 24 C 4.4263 9.4146 123.8095 59.8153 32.0120 174.5971 25 V 3.9720 8.1518 124.4862 62.6059 31.6462 176.6051 26 R 4.5143 7.8758 119.1958 56.6931 31.2497 175.7898 27 C 4.6663 7.9672 107.4765 57.5843 32.3140 174.8708 28 G 3.9380 8.2183 109.1358 44.5716 0.0000 173.6092 29 R 3.7681 7.9650 119.5071 57.1960 30.2305 176.4177 30 A 3.8463 8.6873 127.3915 53.4501 19.7712 177.2975 31 R 4.4230 7.8003 113.4988 55.1921 32.6032 176.0847 32 S 3.6952 8.1925 112.0309 59.9000 61.5861 173.6583 33 V 4.8376 7.0988 112.0315 58.8574 31.7200 174.9592 34 Y 4.1265 8.9906 121.0018 58.6294 38.5527 178.0221 35 R 3.9669 8.8615 123.7811 59.3383 30.6102 178.6961 36 F 3.8439 8.2194 118.8548 60.6192 39.4401 175.8980 37 F 4.8025 8.4895 117.5126 56.2929 41.1495 177.3909 38 G 4.0704 8.4477 107.8547 45.5947 0.0000 173.4322 39 L 4.7853 7.6049 120.3989 53.7221 43.3380 175.7866 40 C 4.7071 8.1635 115.9032 57.1183 32.4616 174.6016 41 R 3.6936 8.6825 118.8071 59.6562 28.6503 179.2189 42 I 3.6517 7.6056 119.6089 64.3896 37.3065 177.9000 43 C 4.1876 7.9846 116.9974 62.6902 27.9568 175.4339 44 L 3.5345 8.2745 122.1556 58.2654 41.5152 178.6531 45 R 3.7017 7.4468 118.0570 60.0241 29.6987 177.7060 46 E 3.9449 7.8697 116.5408 59.5006 29.8057 178.9448 47 L 4.0786 8.0272 118.1166 58.0550 41.6737 179.3722 48 A 3.9180 7.6709 119.0226 55.8874 18.2480 179.0427 49 H 4.2842 7.7355 113.1232 57.5211 28.9656 177.3160 50 K 3.9846 8.5387 119.3884 57.0403 30.8849 177.1029 51 G 4.1804 8.6533 115.0383 46.2654 0.0000 175.1614 52 Q 4.1267 8.3972 118.7083 57.1431 28.8048 176.1123 53 L 4.6826 7.1477 117.6216 51.7743 42.2686 174.3102 54 P 4.3300 0.0000 0.0000 63.6754 31.9934 177.4283 55 G 4.1202 8.9750 111.6610 45.8946 0.0000 174.1929 56 V 3.6813 7.7856 119.7577 62.9331 31.7645 174.7139 57 R 4.6851 8.2719 128.4520 54.6825 32.7837 173.8929 58 K 4.3729 8.4410 117.7601 54.5205 32.3676 175.9306 59 A 4.3120 8.3986 127.4282 52.2389 19.0817 176.5787 60 S 4.8154 8.5273 115.0759 57.1362 65.5729 174.1330 61 W 4.5513 8.2979 122.9098 57.2578 27.2546 174.0677 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 A 8.26 4.35 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 3 R 7.41 4.40 0.00 2.02 1.85 0.00 3.24 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 4 K 9.24 3.93 0.00 1.82 1.91 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.50 7.81 5 A 8.07 4.26 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 6 L 8.78 4.68 0.00 1.82 1.79 0.96 0.65 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 7 I 8.14 4.34 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 1.39 0.69 0.92 0.00 0.00 8 E 8.16 4.10 0.00 2.19 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 2.50 2.26 0.00 9 K 8.02 3.80 0.00 1.43 1.63 0.00 1.47 0.00 0.00 1.48 0.00 0.00 2.77 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.05 0.25 7.81 10 A 7.62 3.86 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 11 K 8.20 3.69 0.00 1.79 1.94 0.00 1.62 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.76 1.53 7.81 12 R 8.41 3.47 0.00 1.79 1.88 0.00 3.38 0.00 0.00 3.19 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 13 T 7.06 3.81 4.20 0.00 0.00 0.00 0.00 0.00 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 14 P 0.00 4.44 0.00 2.32 2.22 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 15 K 9.50 4.04 0.00 1.54 2.00 0.00 1.30 0.00 0.00 1.50 0.00 0.00 2.87 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.90 0.21 7.81 16 F 7.56 4.96 0.00 3.18 2.82 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 17 K 9.12 3.97 0.00 1.89 2.02 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.55 7.81 18 V 8.01 3.81 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 1.02 0.00 0.00 0.99 0.00 0.00 19 R 7.99 4.27 0.00 1.96 2.11 0.00 3.37 0.00 0.00 3.37 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.79 0.00 20 A 7.60 4.38 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 21 Y 7.53 4.97 0.00 3.05 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 22 T 8.15 3.74 4.34 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 1.28 0.00 0.00 23 R 8.07 4.37 0.00 2.02 2.05 0.00 3.28 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.01 0.00 24 C 9.41 4.43 0.00 2.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.15 3.97 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 0.80 0.00 0.00 0.95 0.00 0.00 26 R 7.88 4.51 0.00 1.79 1.97 0.00 3.22 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 27 C 7.97 4.67 0.00 3.07 2.96 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 28 G 8.22 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 29 R 7.96 3.77 0.00 1.93 1.92 0.00 3.25 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.93 0.00 30 A 8.69 3.85 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 31 R 7.80 4.42 0.00 1.83 1.88 0.00 3.36 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 32 S 8.19 3.70 0.00 4.25 4.12 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 0.00 0.00 0.00 33 V 7.10 4.84 2.20 0.00 0.00 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 1.06 0.00 0.00 34 Y 8.99 4.13 0.00 3.22 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 35 R 8.86 3.97 0.00 1.96 2.02 0.00 3.19 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 36 F 8.22 3.84 0.00 2.96 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 37 F 8.49 4.80 0.00 3.25 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 38 G 8.45 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 39 L 7.60 4.79 0.00 1.73 1.57 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.16 4.71 0.00 3.20 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 41 R 8.68 3.69 0.00 2.06 2.52 0.00 2.80 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 42 I 7.61 3.65 1.87 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 1.64 0.52 0.90 0.00 0.00 43 C 7.98 4.19 0.00 3.15 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 44 L 8.27 3.53 0.00 1.35 1.63 0.10 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.45 3.70 0.00 1.88 2.15 0.00 3.15 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 46 E 7.87 3.94 0.00 2.07 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 0.00 2.35 2.61 0.00 47 L 8.03 4.08 0.00 1.62 1.70 0.91 0.80 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 48 A 7.67 3.92 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 49 H 7.74 4.28 0.00 3.41 3.34 0.00 5.66 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 50 K 8.54 3.98 0.00 1.93 1.60 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.39 7.81 51 G 8.65 4.18 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 0.00 0.00 0.00 52 Q 8.40 4.13 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 53 L 7.15 4.68 0.00 1.70 1.76 0.36 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.33 0.00 2.27 2.22 0.00 3.88 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.02 0.00 55 G 8.97 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.79 3.68 2.38 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 0.72 0.00 0.00 1.28 0.00 0.00 57 R 8.27 4.69 0.00 1.77 1.80 0.00 3.27 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 58 K 8.44 4.37 0.00 1.79 1.78 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.41 7.81 59 A 8.40 4.31 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 60 S 8.53 4.82 0.00 3.86 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 61 W 8.30 4.55 0.00 3.37 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00