NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2316 8.0976 119.7054 55.0833 32.7166 179.0054 2 R 3.1737 7.2999 116.5811 57.6888 32.0865 174.8086 3 K 3.8161 8.7160 118.6785 55.3132 31.4585 176.8686 4 K 4.6079 7.4033 118.6078 55.0836 33.0787 178.3326 5 R 4.5268 8.0118 114.2048 55.4069 29.6882 177.3255 6 T 4.0558 8.2708 113.8676 61.8963 69.3213 171.7736 7 S 4.5184 7.9454 118.7648 58.8478 64.2541 174.3307 8 I 4.9086 6.9608 124.6280 62.4449 39.6944 173.6591 9 E 5.1018 7.9766 127.3203 58.0813 33.6366 176.5690 10 T 4.6835 6.8628 118.7214 62.4774 69.5654 175.9655 11 N 4.3381 9.0690 121.7050 57.2477 37.5559 177.8610 12 V 3.4807 7.8917 118.8951 64.6926 31.3907 178.2804 13 R 2.9988 7.6843 117.2716 58.4518 27.4268 178.4104 14 F 4.1850 7.7865 119.7789 61.3501 39.1255 177.1023 15 A 4.1563 7.6848 119.5643 54.8137 18.2155 179.3460 16 L 3.7988 7.9424 117.8929 57.2157 40.8801 178.7290 17 E 4.1685 8.1630 120.1374 59.7222 29.3469 178.9871 18 K 3.8111 7.4748 117.1341 59.3428 32.4911 178.7444 19 S 4.3261 7.8325 115.6388 60.9016 62.7478 176.1153 20 F 4.2464 8.7921 124.0029 61.4982 38.9047 177.0851 21 L 3.7867 7.5803 117.8842 57.6693 41.8819 178.5336 22 A 4.1431 7.2470 119.8615 53.8941 19.1048 177.5774 23 N 4.8419 7.7283 113.4015 52.2959 42.9070 174.7256 24 Q 4.4364 8.6281 121.8755 55.6993 29.9124 176.0526 25 K 4.5743 7.2793 114.1979 53.5498 32.3610 173.7903 26 P 4.2259 0.0000 0.0000 62.6354 32.2552 178.3928 27 T 4.3611 8.0512 112.7329 60.7904 72.2655 175.1507 28 S 4.1559 8.3858 113.5082 61.9298 62.4088 176.2788 29 E 3.9828 8.0560 120.8796 59.2738 29.3322 178.5006 30 E 3.9075 8.2185 118.9241 59.3926 29.4777 179.0196 31 I 3.7576 7.4693 118.5953 64.2712 37.1076 178.3079 32 L 4.0202 7.5101 118.9523 58.6491 40.2911 178.9130 33 L 4.0601 8.2693 121.5728 58.1415 42.1015 178.8831 34 I 3.7624 7.7329 118.0211 63.6598 37.7070 177.6378 35 A 4.3908 8.2545 123.7525 54.3682 17.9661 178.9076 36 E 4.0065 7.7554 116.3530 58.6454 29.7320 178.3303 37 Q 4.0889 7.7451 118.9181 56.3322 29.4016 176.3980 38 L 4.4230 7.3643 123.7895 56.4259 45.8725 175.9947 39 H 4.8749 9.3087 109.2101 53.7591 28.1419 173.3713 40 M 4.7365 7.4038 119.5173 53.8984 36.8136 174.1839 41 E 4.8042 8.4594 122.7707 53.2966 33.4766 175.9683 42 K 3.8964 8.7806 122.9325 59.7412 32.0648 177.7097 43 E 4.0165 8.6973 117.7109 58.2322 29.1734 178.2168 44 V 3.6433 8.5123 120.3731 65.8230 31.7929 177.5449 45 I 3.4246 7.8007 119.6345 64.5032 36.9045 177.8745 46 R 4.2226 8.4323 118.5020 59.9188 30.3181 179.1546 47 V 3.7326 7.7131 118.5539 65.4989 30.9901 176.9919 48 W 4.0551 8.9060 129.7420 57.7647 30.1626 178.1203 49 F 4.4165 7.0479 116.8614 61.1856 38.8046 177.5847 50 C 4.1820 8.5732 115.8563 63.0197 27.8840 175.5302 51 N 4.3101 8.1155 117.9906 56.1804 38.3230 177.2660 52 R 3.1830 7.8575 120.9432 59.0876 30.0639 178.2142 53 R 4.0894 7.8965 117.5646 58.4654 29.7518 177.9226 54 Q 4.0003 7.5514 118.9714 58.8934 28.8046 177.4262 55 K 3.8031 7.4581 119.4816 58.4428 32.2365 178.4897 56 E 4.0890 7.6909 118.5329 58.5066 30.0172 177.7289 57 K 4.1172 7.0005 116.9261 55.8339 32.8837 177.3626 58 R 5.8738 7.5102 135.0000 57.5397 30.5814 174.2542 59 I 4.2880 10.9015 115.9015 61.3717 38.7122 173.9751 60 N 6.0426 12.0000 115.1092 51.4484 41.4145 170.9658 61 P 4.7560 0.0000 0.0000 61.0312 29.3428 178.7735 62 C 5.4574 8.2021 116.0202 60.3631 34.9500 173.6422 63 S 3.2302 9.9686 114.9906 57.2939 61.9555 177.2205 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 1 R 8.10 4.23 0.00 1.85 1.89 0.00 3.36 0.00 0.00 3.33 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 2 R 7.30 3.17 0.00 2.25 2.04 0.00 3.23 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 3 K 8.72 3.82 0.00 1.86 2.08 0.00 1.43 0.00 0.00 0.61 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.31 1.27 7.81 4 K 7.40 4.61 0.00 1.88 1.68 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.29 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.35 1.56 7.81 5 R 8.01 4.53 0.00 1.89 1.98 0.00 2.92 0.00 0.00 3.93 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 6 T 8.27 4.06 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 1.26 0.00 0.00 7 S 7.95 4.52 0.00 4.13 4.03 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 8 I 6.96 4.91 1.91 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 1.45 0.47 1.03 0.00 0.00 9 E 7.98 5.10 0.00 1.95 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 2.09 2.16 0.00 10 T 6.86 4.68 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 1.21 0.00 0.00 11 N 9.07 4.34 0.00 2.94 3.12 0.00 0.00 5.73 7.67 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 12 V 7.89 3.48 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 0.78 0.00 0.00 0.54 0.00 0.00 13 R 7.68 3.00 0.00 2.61 2.43 0.00 3.05 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 14 F 7.79 4.18 0.00 2.76 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.68 4.16 1.20 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 0.00 0.00 0.00 16 L 7.94 3.80 0.00 0.27 0.13 0.92 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.16 4.17 0.00 2.43 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 2.52 2.54 0.00 18 K 7.47 3.81 0.00 1.82 1.84 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.51 7.81 19 S 7.83 4.33 0.00 4.09 3.92 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 0.00 0.00 0.00 20 F 8.79 4.25 0.00 3.36 3.28 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 21 L 7.58 3.79 0.00 1.74 1.73 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.25 4.14 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 23 N 7.73 4.84 0.00 2.62 2.58 0.00 0.00 6.43 9.05 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 24 Q 8.63 4.44 0.00 1.83 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.22 0.00 0.00 0.00 0.00 0.00 2.25 2.19 0.00 25 K 7.28 4.57 0.00 1.80 1.64 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.29 7.81 26 P 0.00 4.23 0.00 2.02 1.81 0.00 3.64 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.30 0.00 27 T 8.05 4.36 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 1.20 0.00 0.00 28 S 8.39 4.16 0.00 3.92 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 29 E 8.06 3.98 0.00 2.04 1.97 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 2.40 2.36 0.00 30 E 8.22 3.91 0.00 2.04 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 2.34 2.44 0.00 31 I 7.47 3.76 1.90 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 1.63 0.55 0.99 0.00 0.00 32 L 7.51 4.02 0.00 1.76 1.82 0.92 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.27 4.06 0.00 1.84 1.94 0.91 0.64 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 34 I 7.73 3.76 2.05 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 1.45 1.05 1.02 0.00 0.00 35 A 8.25 4.39 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.76 4.01 0.00 2.03 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 2.32 2.31 0.00 37 Q 7.75 4.09 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 38 L 7.36 4.42 0.00 1.57 0.97 0.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 39 H 9.31 4.87 0.00 3.00 3.08 0.00 5.75 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 M 7.40 4.74 0.00 1.99 1.89 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.49 0.00 41 E 8.46 4.80 0.00 1.95 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 42 K 8.78 3.90 0.00 1.89 1.85 0.00 1.83 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.58 7.81 43 E 8.70 4.02 0.00 2.09 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 44 V 8.51 3.64 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 0.87 0.00 0.00 0.91 0.00 0.00 45 I 7.80 3.42 2.28 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 1.63 0.92 1.31 0.00 0.00 46 R 8.43 4.22 0.00 2.08 2.20 0.00 3.24 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.80 0.00 47 V 7.71 3.73 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.93 0.00 0.00 48 W 8.91 4.06 0.00 3.27 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.05 4.42 0.00 3.43 3.24 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 50 C 8.57 4.18 0.00 3.14 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 51 N 8.12 4.31 0.00 2.87 2.52 0.00 0.00 6.87 7.45 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 52 R 7.86 3.18 0.00 0.67 1.42 0.00 2.52 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.70 0.00 53 R 7.90 4.09 0.00 2.17 2.21 0.00 3.25 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 54 Q 7.55 4.00 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.56 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 55 K 7.46 3.80 0.00 1.65 1.83 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.39 7.81 56 E 7.69 4.09 0.00 2.17 2.01 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 2.43 2.58 0.00 57 K 7.00 4.12 0.00 1.58 1.75 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.56 7.81 58 R 7.51 5.87 0.00 2.09 2.13 0.00 3.10 0.00 0.00 3.49 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.61 0.00 59 I 10.90 4.29 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 1.30 0.85 0.91 0.00 0.00 60 N 12.00 6.04 0.00 2.84 2.64 0.00 0.00 7.43 7.85 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 61 P 0.00 4.76 0.00 2.00 3.61 0.00 3.34 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.30 0.00 62 C 8.20 5.46 0.00 2.92 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 63 S 9.97 3.23 0.00 2.92 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