NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3322 8.3044 120.3265 55.4606 32.1512 170.8431 2 K 3.5106 9.8604 130.8059 55.4818 32.5891 173.2742 3 I 4.8210 8.2821 126.3690 59.4429 42.0980 174.7210 4 K 4.6567 8.1919 122.2217 55.2934 34.6440 174.8591 5 L 4.9664 8.1092 115.4318 52.9956 46.5407 179.2894 6 V 4.1983 7.9779 112.7736 60.2242 30.7633 179.4454 7 R 4.5013 7.8752 115.2013 56.0201 31.1663 173.3554 8 S 4.6504 7.6689 114.1279 57.3130 66.7352 175.5205 9 V 4.4352 8.6580 122.2406 63.5875 32.0863 177.1183 10 I 3.8504 8.7416 115.5245 62.2505 38.3862 176.0276 11 G 3.8891 9.0238 108.2382 45.5160 0.0000 173.0652 12 R 4.4576 7.5183 118.4580 53.2178 32.1334 173.3977 13 P 4.4612 0.0000 0.0000 62.3835 31.8512 177.1559 14 G 3.7136 8.5139 106.9640 47.8996 0.0000 175.7859 15 N 4.3050 8.3110 117.9817 56.0596 37.1266 177.0394 16 Q 4.0085 7.6463 120.1535 58.1249 28.9886 177.8266 17 V 3.6858 7.4342 119.2102 65.2950 31.2862 176.4246 18 K 4.6321 7.5343 117.9025 57.4325 33.1973 177.5167 19 T 4.5522 7.6435 114.7239 63.2598 70.7369 176.8931 20 V 3.6329 8.1626 122.2320 65.5964 31.7191 177.6077 21 Q 4.1040 8.0467 117.1890 57.5634 28.8207 176.0229 22 A 4.2811 7.2702 118.6990 53.4146 19.8280 177.6392 23 L 4.4520 7.9316 124.7438 53.0452 40.4699 176.1671 24 G 3.6297 8.4223 113.9285 45.9868 0.0000 171.1986 25 L 4.4270 8.2669 126.7556 53.8866 44.9820 174.5033 26 R 4.4759 8.4828 125.0252 55.3382 32.0866 177.7993 27 K 3.9546 8.5430 121.7033 56.0197 31.3922 174.5893 28 I 4.4686 7.8734 115.6047 62.1665 39.7060 178.0932 29 G 4.0223 8.2083 108.4496 48.0547 0.0000 173.2263 30 D 4.6946 7.7030 118.0814 52.4551 43.5217 175.2483 31 S 4.7770 8.5423 119.6287 56.7578 65.5306 172.6783 32 R 4.6798 7.8935 120.6985 54.3640 33.6535 174.9253 33 E 4.3726 8.4347 119.0857 56.9422 29.8600 175.5575 34 V 4.4519 8.2618 114.1235 60.9255 35.1948 174.1405 35 S 3.8553 8.4241 109.6378 60.5043 62.5773 176.1407 36 D 4.6719 8.3763 109.6565 54.6076 43.0199 177.8413 37 T 4.4961 6.8955 116.5442 60.4088 69.8811 173.3596 38 P 4.2219 0.0000 0.0000 64.9734 31.8279 176.8773 39 A 4.6624 7.3484 120.8944 51.9921 18.0793 178.2156 40 V 4.4340 7.4805 116.5060 63.9450 34.8980 175.6454 41 R 4.0052 8.1599 119.2573 58.9185 30.4525 176.2195 42 G 4.2811 7.5191 104.8621 45.2342 0.0000 172.7560 43 M 4.8799 7.7537 110.8372 55.1035 34.2148 175.3373 44 V 4.4689 7.6825 109.1712 61.2618 36.0346 175.0902 45 K 4.5889 7.8932 118.8006 56.9429 29.6916 175.3767 46 T 4.6825 8.0044 116.3138 64.4481 75.1375 175.3374 47 V 4.5137 7.1596 116.4832 61.2781 31.8733 175.3963 48 K 3.9698 8.1640 123.9708 60.0399 32.6655 175.7060 49 H 4.9788 7.9839 118.5133 54.4691 27.0980 172.1256 50 L 4.2673 7.4664 128.2921 54.6020 46.8135 173.5017 51 L 4.8873 7.6877 120.5516 53.8158 44.1408 173.0126 52 E 4.8239 8.1691 116.5758 55.1480 32.8657 175.0762 53 V 3.7484 8.5074 118.2847 63.8315 31.5590 176.2296 54 Q 4.5102 7.5268 118.2614 55.1541 31.7583 173.2521 55 E 4.0730 8.5006 124.5649 56.6957 29.5583 176.1133 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 M 8.30 4.33 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 2 K 9.86 3.51 0.00 1.85 1.80 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.78 7.81 3 I 8.28 4.82 1.97 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 1.06 0.91 0.00 0.00 4 K 8.19 4.66 0.00 1.65 1.81 0.00 1.99 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.36 7.81 5 L 8.11 4.97 0.00 1.58 1.48 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 6 V 7.98 4.20 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 0.96 0.00 0.00 0.93 0.00 0.00 7 R 7.88 4.50 0.00 1.69 1.75 0.00 3.26 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 8 S 7.67 4.65 0.00 3.80 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 9 V 8.66 4.44 2.08 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 0.89 0.00 0.00 0.93 0.00 0.00 10 I 8.74 3.85 1.87 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 1.35 0.52 0.91 0.00 0.00 11 G 9.02 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 0.00 0.00 0.00 12 R 7.52 4.46 0.00 1.70 1.78 0.00 3.31 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 13 P 0.00 4.46 0.00 2.52 2.00 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 14 G 8.51 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.31 4.31 0.00 2.88 3.09 0.00 0.00 5.93 7.05 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 16 Q 7.65 4.01 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 17 V 7.43 3.69 2.24 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 1.05 0.00 0.00 0.98 0.00 0.00 18 K 7.53 4.63 0.00 1.94 1.81 0.00 1.58 0.00 0.00 1.88 0.00 0.00 3.14 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.52 7.81 19 T 7.64 4.55 4.32 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 1.29 0.00 0.00 20 V 8.16 3.63 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 0.92 0.00 0.00 0.98 0.00 0.00 21 Q 8.05 4.10 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 22 A 7.27 4.28 1.28 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 0.00 0.00 23 L 7.93 4.45 0.00 1.74 1.70 0.92 0.63 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 24 G 8.42 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.27 4.43 0.00 1.56 1.51 0.94 0.97 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 26 R 8.48 4.48 0.00 1.82 1.81 0.00 3.56 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 27 K 8.54 3.95 0.00 1.90 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.38 7.81 28 I 7.87 4.47 1.87 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 1.34 0.99 0.93 0.00 0.00 29 G 8.21 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 30 D 7.70 4.69 0.00 2.71 2.55 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 31 S 8.54 4.78 0.00 3.82 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 32 R 7.89 4.68 0.00 1.70 1.76 0.00 3.24 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 33 E 8.43 4.37 0.00 1.96 1.85 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 2.29 2.44 0.00 34 V 8.26 4.45 2.08 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 0.72 0.00 0.00 0.93 0.00 0.00 35 S 8.42 3.86 0.00 4.00 3.41 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 36 D 8.38 4.67 0.00 2.63 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 6.90 4.50 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 1.24 0.00 0.00 38 P 0.00 4.22 0.00 2.17 2.12 0.00 3.59 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 39 A 7.35 4.66 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 40 V 7.48 4.43 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 0.94 0.00 0.00 0.96 0.00 0.00 41 R 8.16 4.01 0.00 1.88 1.99 0.00 3.30 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 42 G 7.52 4.28 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 0.00 0.00 0.00 43 M 7.75 4.88 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 44 V 7.68 4.47 2.08 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 0.88 0.00 0.00 0.93 0.00 0.00 45 K 7.89 4.59 0.00 1.72 1.79 0.00 1.62 0.00 0.00 1.88 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.53 7.81 46 T 8.00 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 47 V 7.16 4.51 2.08 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 0.77 0.00 0.00 0.94 0.00 0.00 48 K 8.16 3.97 0.00 1.88 1.82 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.52 7.81 49 H 7.98 4.98 0.00 3.11 3.25 0.00 6.02 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.47 4.27 0.00 1.83 1.53 0.94 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.69 4.89 0.00 1.66 1.58 0.92 0.98 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 52 E 8.17 4.82 0.00 1.91 1.83 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 2.19 2.30 0.00 53 V 8.51 3.75 2.08 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 0.74 0.00 0.00 0.93 0.00 0.00 54 Q 7.53 4.51 0.00 2.36 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 55 E 8.50 4.07 0.00 1.94 1.89 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 2.29 2.32 0.00