NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4646 8.3049 120.3223 55.1993 34.1900 175.2952 2 T 4.2427 7.8306 111.0296 64.8801 70.5753 174.0086 3 D 4.3649 8.7988 120.6274 56.7258 42.1651 176.1461 4 N 4.5189 7.9259 116.7427 52.8694 37.8405 173.7499 5 S 4.4273 8.2292 116.5705 57.7435 65.5106 172.5996 6 N 4.0508 9.2709 116.0581 54.1771 35.6057 170.7117 7 N 4.1934 8.3058 122.3506 52.5736 38.9845 174.4246 8 Q 4.0508 8.4249 123.7905 55.3914 29.8527 175.0059 9 L 4.2155 8.2863 126.2250 54.7754 43.0621 175.1734 10 V 4.6253 8.3458 127.3193 61.2476 33.6902 174.7744 11 V 5.0115 8.2166 126.5103 59.8519 35.0687 174.2505 12 R 4.8832 8.5709 122.3488 54.0265 32.3736 174.7589 13 A 4.0131 8.2578 128.0996 52.7307 19.0980 177.1894 14 K 3.8146 8.8834 121.6231 57.1628 32.3064 177.2958 15 F 4.8821 7.3846 118.4047 55.7570 41.7725 174.9873 16 N 4.6133 8.9177 119.2030 53.6841 38.3598 173.5967 17 F 4.6289 8.8699 129.9370 56.6128 41.2697 174.4307 18 Q 4.6515 7.5958 123.3410 54.2317 30.3902 175.4840 19 Q 5.4188 8.3330 118.7870 54.9912 30.7132 174.7359 20 T 4.4149 8.3934 109.6959 63.2268 69.7179 172.5282 21 N 4.9767 7.5867 116.1010 52.1410 42.5740 174.4278 22 E 4.3034 8.6548 117.3985 58.5743 29.4284 178.2350 23 D 4.5371 8.1296 119.3905 56.1722 41.6258 175.8747 24 E 4.6091 8.0872 118.8964 54.5965 31.1908 173.8377 25 L 4.9646 8.2785 126.4764 53.9459 43.0422 175.8454 26 S 4.9718 8.7936 121.3099 57.6170 64.2903 172.9352 27 F 4.9757 7.6727 117.0046 56.2069 41.2695 173.0674 28 S 5.1086 8.5249 115.9331 55.9879 66.9764 172.1148 29 K 3.9028 8.9007 123.6560 60.8745 31.5674 174.2839 30 G 3.5457 8.1105 121.1511 45.6796 0.0000 172.8954 31 D 4.4138 8.2776 122.9904 54.4356 41.5850 176.2307 32 V 4.0876 8.3077 123.5113 61.9949 33.0056 175.0042 33 I 4.4091 8.0891 126.3500 59.6980 41.1073 174.0965 34 H 4.8310 8.2711 123.2256 54.4147 29.9094 175.1923 35 V 4.2626 7.9937 124.5028 63.0826 31.9276 175.5556 36 T 4.4822 8.4622 115.6224 61.8603 71.1893 174.5625 37 R 4.3640 7.6804 121.3479 55.0379 33.3733 173.9547 38 V 3.2951 7.9762 124.3283 59.7752 32.6464 175.7192 39 E 4.4524 8.2828 125.6372 54.6560 31.4762 176.7192 40 E 4.1887 8.5584 120.7478 55.7048 27.9286 169.9699 41 G 4.0413 8.8920 118.8643 44.0695 0.0000 169.5310 42 G 4.0533 7.5855 114.9477 44.9499 0.0000 172.6983 43 W 4.7181 8.6395 126.4930 55.0630 30.4150 175.2213 44 W 5.1219 8.5574 124.1755 54.8714 31.7761 174.2396 45 E 4.3652 7.9248 123.2265 54.8216 31.7060 175.2260 46 G 4.7549 8.4324 111.4520 46.0305 0.0000 171.2740 47 T 5.1029 8.4194 114.3083 61.9553 72.9320 173.5080 48 L 4.4240 8.8458 124.8885 53.0601 45.5246 174.5423 49 N 4.3787 8.7476 119.6778 54.1129 36.7673 175.2483 50 G 3.9071 8.9648 110.7126 45.6528 0.0000 172.5639 51 R 4.6142 8.1454 118.9682 54.5690 32.8755 174.5229 52 T 4.8539 9.2975 119.0789 60.4174 72.2890 174.3526 53 G 4.1143 7.2562 110.8921 45.2339 0.0000 171.3486 54 W 4.7562 8.2649 118.7254 56.6569 30.9194 175.7277 55 F 5.3820 9.3615 116.6244 54.7350 40.8856 172.2738 56 P 3.3051 0.0000 0.0000 62.9926 31.4548 175.8322 57 S 3.8731 7.1800 114.4700 58.5369 62.3545 174.7311 58 N 4.5045 7.8967 115.4803 55.9387 39.0806 175.1209 59 Y 4.7489 8.0287 113.7656 58.1965 39.0976 175.5089 60 V 5.0424 7.6079 112.0075 59.3914 35.9259 175.0808 61 R 4.6151 8.4075 118.1492 53.9806 32.9611 173.6081 62 E 4.4500 9.1973 123.5523 57.2061 29.9702 176.1544 63 V 4.4252 8.4085 127.2093 60.2545 33.7468 176.0488 64 K 4.2969 8.2413 123.1224 55.3272 34.5690 175.5663 65 A 4.1887 8.6232 128.4251 52.4905 18.4713 176.6936 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 4.46 0.00 2.01 2.18 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 2 T 7.83 4.24 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 3 D 8.80 4.36 0.00 2.62 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 N 7.93 4.52 0.00 2.74 2.76 0.00 0.00 6.56 7.52 0.00 0.00 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 S 8.23 4.43 0.00 3.76 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.27 4.05 0.00 2.85 2.86 0.00 0.00 6.88 7.98 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 7 N 8.31 4.19 0.00 2.84 2.84 0.00 0.00 7.12 7.68 0.00 0.00 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 Q 8.42 4.05 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.11 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 9 L 8.29 4.22 0.00 1.67 1.44 0.67 0.82 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 10 V 8.35 4.63 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 0.93 0.00 0.00 1.06 0.00 0.00 11 V 8.22 5.01 2.27 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 0.75 0.00 0.00 1.05 0.00 0.00 12 R 8.57 4.88 0.00 1.82 1.71 0.00 3.06 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 13 A 8.26 4.01 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.88 3.81 0.00 1.09 0.78 0.00 1.53 0.00 0.00 1.45 0.00 0.00 2.37 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.15 1.29 7.81 15 F 7.38 4.88 0.00 2.87 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.92 4.61 0.00 2.81 2.84 0.00 0.00 6.91 7.04 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 17 F 8.87 4.63 0.00 2.76 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 7.60 4.65 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.61 0.00 0.00 0.00 0.00 0.00 1.85 2.03 0.00 19 Q 8.33 5.42 0.00 2.31 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.05 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 20 T 8.39 4.41 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 1.27 0.00 0.00 21 N 7.59 4.98 0.00 2.78 2.71 0.00 0.00 7.19 7.68 0.00 0.00 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 E 8.65 4.30 0.00 1.99 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 2.35 2.30 0.00 23 D 8.13 4.54 0.00 2.84 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.09 4.61 0.00 2.17 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 2.55 2.53 0.00 25 L 8.28 4.96 0.00 1.99 2.00 1.06 1.03 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 26 S 8.79 4.97 0.00 4.13 3.84 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 0.00 0.00 0.00 0.00 27 F 7.67 4.98 0.00 2.89 3.02 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 28 S 8.52 5.11 0.00 4.04 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.90 3.90 0.00 1.88 1.84 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.55 7.81 30 G 8.11 3.55 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 0.00 0.00 0.00 31 D 8.28 4.41 0.00 2.87 2.66 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 0.00 0.00 0.00 0.00 32 V 8.31 4.09 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 0.79 0.00 0.00 0.91 0.00 0.00 33 I 8.09 4.41 1.19 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.32 0.50 0.00 0.00 34 H 8.27 4.83 0.00 3.12 3.19 0.00 5.63 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.99 4.26 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 0.63 0.00 0.00 1.16 0.00 0.00 36 T 8.46 4.48 4.16 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 1.23 0.00 0.00 37 R 7.68 4.36 0.00 1.49 1.78 0.00 2.89 0.00 0.00 3.38 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.48 0.00 38 V 7.98 3.30 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 0.43 0.00 0.00 -0.32 0.00 0.00 39 E 8.28 4.45 0.00 2.21 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 0.00 2.33 2.41 0.00 40 E 8.56 4.19 0.00 1.96 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 2.43 0.00 41 G 8.89 4.04 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 0.00 0.00 0.00 42 G 7.59 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 43 W 8.64 4.72 0.00 3.14 3.38 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 0.00 0.00 0.00 0.00 44 W 8.56 5.12 0.00 2.33 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 45 E 7.92 4.37 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 1.81 1.47 0.00 46 G 8.43 4.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.42 5.10 4.26 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 1.22 0.00 0.00 48 L 8.85 4.42 0.00 1.63 1.66 0.97 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 49 N 8.75 4.38 0.00 2.88 2.88 0.00 0.00 6.06 7.02 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 50 G 8.96 3.91 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 0.00 51 R 8.15 4.61 0.00 1.89 1.90 0.00 3.14 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 52 T 9.30 4.85 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 1.27 0.00 0.00 53 G 7.26 4.11 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 0.00 54 W 8.26 4.76 0.00 3.30 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.36 5.38 0.00 2.86 3.16 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 56 P 0.00 3.31 0.00 1.72 1.23 0.00 3.58 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.45 0.00 57 S 7.18 3.87 0.00 2.72 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.90 4.50 0.00 2.81 2.96 0.00 0.00 6.95 7.42 0.00 0.00 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 Y 8.03 4.75 0.00 3.06 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.61 5.04 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 0.35 0.00 0.00 0.96 0.00 0.00 61 R 8.41 4.62 0.00 1.83 1.90 0.00 2.73 0.00 0.00 2.99 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.50 0.00 62 E 9.20 4.45 0.00 2.14 2.02 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 2.33 2.48 0.00 63 V 8.41 4.43 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 0.70 0.00 0.00 0.91 0.00 0.00 64 K 8.24 4.30 0.00 1.66 1.69 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.49 7.81 65 A 8.62 4.19 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