NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.2940 8.2549 119.7048 56.1792 31.5398 175.7942 9 C 4.5318 8.4598 119.7716 53.3732 41.4115 171.5184 10 P 4.1969 0.0000 0.0000 65.1350 31.9194 177.0300 11 C 4.8395 8.1798 115.1066 55.0685 42.7918 173.3369 12 R 3.9219 8.0228 122.6985 57.0141 30.8768 176.1392 13 F 4.7308 7.3919 116.1492 55.5673 41.3512 175.1823 14 F 4.9683 8.8262 122.3966 55.7988 41.2563 174.8949 15 E 4.7353 8.9057 124.2877 55.0473 30.7813 176.8477 16 S 4.7918 8.7681 116.4050 58.6164 63.9143 173.9732 17 H 4.9391 8.0451 117.9545 55.8917 29.2521 174.1616 18 V 4.3576 7.9239 117.4869 60.9802 33.9346 174.0804 19 A 3.8762 7.6871 126.7070 49.4246 22.3790 177.2476 20 R 3.0260 6.8796 118.8802 59.0223 30.2084 178.6809 21 A 4.1179 7.6429 119.2031 54.5800 18.4191 177.2744 22 N 4.5725 7.7438 112.5504 53.4861 39.6500 174.2886 23 V 4.7336 7.5855 117.5044 61.7770 33.4866 174.8404 24 K 4.4500 8.2225 126.7893 58.4964 32.9269 176.0816 25 H 4.9006 7.6253 112.7010 54.4270 31.8093 172.3584 26 L 4.8797 8.4181 119.4983 52.8930 44.1082 175.5787 27 K 4.6263 9.0647 124.9910 54.7400 34.5228 174.6998 28 I 4.6923 8.4293 128.1242 60.1980 39.0257 175.1476 29 L 4.6013 8.6428 125.6897 53.2711 45.0213 175.9270 30 N 5.0431 8.8854 123.5691 51.9518 37.5486 172.6346 31 T 4.5040 8.3107 111.7736 59.0943 70.3874 174.4171 32 P 4.4784 0.0000 0.0000 63.8086 31.3964 176.5611 33 N 4.7228 7.9147 115.8663 54.5543 39.3268 176.1664 34 C 4.8147 7.5085 111.0046 55.6908 39.7928 175.2744 35 A 3.5619 8.7085 122.2106 51.1660 16.7436 176.0124 36 L 4.6260 8.1989 116.5062 55.0856 43.2080 177.6954 37 Q 4.7731 8.9160 123.8263 54.2940 33.8303 173.9379 38 I 5.0438 8.4773 121.9624 59.5578 40.9253 174.3871 39 V 4.7556 8.6186 125.9602 61.1554 34.0871 174.2336 40 A 5.2626 9.0370 127.6434 49.2662 23.3660 174.7462 41 R 5.4859 8.0680 117.5319 53.5700 33.3827 175.5273 42 L 4.5427 8.3509 123.2999 54.4025 42.1729 178.1340 43 K 3.8296 9.3268 126.7548 59.3836 31.8299 177.1683 44 N 4.1642 7.0508 115.0792 55.8608 38.4411 174.8514 45 N 4.6652 7.9586 112.7258 52.6503 39.3766 175.4483 46 N 4.4049 8.2757 114.6790 54.2672 36.8544 174.6444 47 R 4.3186 7.2512 117.9309 55.9178 32.3120 175.1432 48 Q 4.5930 8.5085 121.0891 54.7596 30.2989 174.5820 49 V 4.5910 8.8798 126.4637 61.2826 35.7894 173.2117 50 C 5.1461 8.6170 121.5119 55.5236 42.3241 172.6311 51 I 5.0374 8.0433 123.5719 59.2137 39.5002 175.0809 52 D 4.5219 8.8432 126.9835 53.3698 41.8804 175.2021 53 P 4.2256 0.0000 0.0000 63.8120 30.8849 176.7925 54 K 4.3008 7.8378 117.2569 56.5611 32.6795 176.9170 55 L 4.2266 7.3705 120.3555 54.2513 42.5825 178.1631 56 K 3.9953 8.8127 122.6636 59.2958 32.1306 179.7559 57 W 4.3791 8.3376 116.3689 59.3602 27.9180 178.3915 58 I 2.8930 6.3357 120.9440 64.0017 36.3939 178.0022 59 Q 3.9112 7.7687 119.9054 59.1990 28.8409 177.9486 60 E 3.9828 8.2868 119.6852 59.5155 29.6165 178.6506 61 Y 4.1050 8.1519 119.6078 60.8263 38.8851 178.2538 62 L 3.9279 8.0504 119.8897 57.4745 41.5812 179.0756 63 E 3.9295 8.2523 119.6759 59.0175 29.1235 178.7468 64 K 4.0567 8.3910 118.0590 58.2784 31.9712 178.5176 65 A 3.8137 7.2530 119.3088 53.2295 19.0864 178.9858 66 L 4.1374 7.4809 117.0790 57.7683 42.1404 178.7596 67 N 4.4795 7.6774 114.7826 55.9340 38.5471 175.4088 68 K 4.1450 7.4107 123.1428 56.6083 32.1941 176.6340 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 8 R 8.25 4.29 0.00 1.81 1.92 0.00 3.15 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 9 C 8.46 4.53 0.00 3.11 3.04 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 0.00 0.00 0.00 0.00 10 P 0.00 4.20 0.00 2.19 2.20 0.00 3.81 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 2.20 2.02 0.00 11 C 8.18 4.84 0.00 3.13 2.22 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 12 R 8.02 3.92 0.00 1.61 1.42 0.00 3.15 0.00 0.00 3.17 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.48 0.00 13 F 7.39 4.73 0.00 2.99 2.92 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 14 F 8.83 4.97 0.00 3.07 3.13 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 0.00 0.00 0.00 0.00 15 E 8.91 4.74 0.00 2.14 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 2.32 2.28 0.00 16 S 8.77 4.79 0.00 3.93 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.05 4.94 0.00 3.15 3.37 0.00 5.85 0.00 0.00 0.00 0.00 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.92 4.36 2.28 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 0.82 0.00 0.00 1.00 0.00 0.00 19 A 7.69 3.88 0.91 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 20 R 6.88 3.03 0.00 1.39 1.65 0.00 3.51 0.00 0.00 3.46 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 21 A 7.64 4.12 1.18 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 22 N 7.74 4.57 0.00 2.74 2.78 0.00 0.00 6.49 7.51 0.00 0.00 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 7.59 4.73 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.06 0.00 0.00 24 K 8.22 4.45 0.00 1.80 1.73 0.00 1.90 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.39 7.81 25 H 7.63 4.90 0.00 3.22 3.37 0.00 5.47 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.42 4.88 0.00 1.39 1.59 0.38 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.06 4.63 0.00 1.86 1.77 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.41 7.81 28 I 8.43 4.69 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.00 0.92 0.00 0.00 29 L 8.64 4.60 0.00 1.75 1.55 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.89 5.04 0.00 2.60 2.77 0.00 0.00 7.11 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 31 T 8.31 4.50 4.25 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 1.23 0.00 0.00 32 P 0.00 4.48 0.00 2.18 2.20 0.00 3.49 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 33 N 7.91 4.72 0.00 2.73 2.90 0.00 0.00 6.77 7.66 0.00 0.00 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 C 7.51 4.81 0.00 2.75 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 35 A 8.71 3.56 1.34 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 0.00 0.00 0.00 36 L 8.20 4.63 0.00 1.62 1.53 0.98 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.92 4.77 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 38 I 8.48 5.04 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.05 0.97 0.00 0.00 39 V 8.62 4.76 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 1.06 0.00 0.00 0.95 0.00 0.00 40 A 9.04 5.26 1.26 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 0.00 0.00 41 R 8.07 5.49 0.00 1.61 1.89 0.00 3.48 0.00 0.00 3.32 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.41 0.00 42 L 8.35 4.54 0.00 1.59 1.70 0.91 1.05 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 43 K 9.33 3.83 0.00 1.63 1.80 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.40 7.81 44 N 7.05 4.16 0.00 2.61 2.76 0.00 0.00 6.99 7.84 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 45 N 7.96 4.67 0.00 2.73 2.81 0.00 0.00 6.87 6.91 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 46 N 8.28 4.40 0.00 2.84 2.90 0.00 0.00 6.95 8.44 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 47 R 7.25 4.32 0.00 1.95 1.87 0.00 3.07 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 48 Q 8.51 4.59 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.80 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 49 V 8.88 4.59 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 1.18 0.00 0.00 0.94 0.00 0.00 50 C 8.62 5.15 0.00 2.90 2.79 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 51 I 8.04 5.04 1.93 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.05 1.11 0.00 0.00 52 D 8.84 4.52 0.00 2.87 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.23 0.00 2.12 2.06 0.00 3.54 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.00 0.00 54 K 7.84 4.30 0.00 1.73 1.83 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.48 7.81 55 L 7.37 4.23 0.00 1.33 1.66 1.37 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.81 4.00 0.00 1.88 1.91 0.00 1.71 0.00 0.00 1.90 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.52 7.81 57 W 8.34 4.38 0.00 3.69 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 6.34 2.89 1.58 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 -0.36 0.65 0.00 0.00 59 Q 7.77 3.91 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 60 E 8.29 3.98 0.00 2.35 2.07 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 2.38 2.57 0.00 61 Y 8.15 4.10 0.00 3.22 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.05 3.93 0.00 1.87 1.66 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.25 3.93 0.00 2.13 2.03 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 2.28 2.32 0.00 64 K 8.39 4.06 0.00 1.71 1.78 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.64 7.81 65 A 7.25 3.81 0.97 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 0.00 0.00 66 L 7.48 4.14 0.00 1.67 1.69 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 67 N 7.68 4.48 0.00 2.75 2.86 0.00 0.00 7.25 8.94 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 68 K 7.41 4.14 0.00 1.76 1.69 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.39 7.81