NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Y 4.7561 8.0033 119.0438 56.9252 39.9711 173.7685 3 F 4.8730 8.9205 119.0241 55.9386 40.9268 172.0962 4 E 4.8252 10.0851 122.9094 55.0549 33.2018 173.5881 5 I 5.1365 8.7750 128.1862 60.1015 39.2279 174.5070 6 Y 5.0439 8.6725 123.8666 55.9175 42.2819 173.0759 7 K 5.2408 9.0600 120.4649 53.9548 34.2439 175.6542 8 D 4.7744 8.2770 126.6882 51.7049 41.4312 176.4233 9 A 3.9336 8.5543 121.2252 55.5129 18.3280 178.9721 10 K 3.8257 7.6435 114.4631 59.0365 32.2747 178.1891 11 G 3.9693 7.9533 104.8309 45.1132 0.0000 173.0158 12 E 4.3243 7.6723 119.6306 55.1409 32.3640 174.4133 13 Y 5.1354 8.2565 118.5673 56.4940 40.0876 175.6998 14 R 5.1941 8.4882 120.6628 54.0407 33.8525 174.3770 15 W 5.6071 8.0606 116.6250 54.4890 31.9879 174.3369 16 R 4.7730 8.7825 113.0652 55.3330 32.0403 173.2827 17 L 4.7835 9.2457 125.2176 53.5799 43.8455 175.0695 18 K 4.8974 7.8797 125.2058 54.2206 34.5043 176.3224 19 A 4.2021 8.8264 127.1012 51.4393 19.2866 178.2430 20 A 4.2589 8.5285 121.0746 54.5177 18.4172 177.9685 21 N 4.8706 8.0911 113.3893 53.0810 37.9093 175.0742 22 H 4.5146 8.0019 112.1378 57.7256 27.2820 174.0029 23 E 4.5259 7.4479 120.2122 54.1630 30.6660 175.4210 24 I 4.0985 8.3058 127.2509 61.9624 37.8437 174.7226 25 I 4.4012 8.9528 125.2665 62.3993 38.7431 175.8994 26 A 4.8380 7.7627 121.9630 50.2869 22.8705 174.3605 27 Q 4.3189 8.6785 118.6074 54.0127 32.1127 175.4404 28 G 3.5503 6.0953 109.8250 44.2298 0.0000 172.5673 29 E 4.3529 8.5499 118.7788 55.5302 30.6555 177.1525 30 G 4.0132 8.2691 108.8700 46.1104 0.0000 171.7646 31 Y 4.8556 8.8864 117.4959 56.1650 42.0161 177.2461 32 T 3.9054 9.0188 113.9182 65.1315 67.7287 174.8413 33 S 5.0785 7.7514 116.4082 56.1983 67.2804 175.0157 34 K 3.5025 8.3812 124.1730 59.2869 31.8983 179.0410 35 Q 3.8280 7.8582 119.5765 59.3223 29.1534 177.9046 36 N 4.3014 8.0494 116.8982 56.2563 38.5699 176.8721 37 C 3.0508 7.6122 120.3269 62.0682 31.7403 175.4146 38 Q 3.8375 7.8170 121.0328 59.1070 28.6446 177.6196 39 H 4.0621 7.9603 118.9205 58.9625 29.9084 177.0699 40 A 3.8081 7.4709 122.1477 55.1125 18.2092 179.7562 41 V 2.7736 7.1393 116.1815 65.9637 31.2385 178.0199 42 D 4.1654 7.4256 117.3776 57.1861 40.8082 178.4665 43 L 4.0185 7.5823 119.3852 57.5174 41.5793 179.4668 44 L 3.8886 7.6531 119.2032 57.5830 41.4049 179.4943 45 K 4.2320 7.6678 116.5176 58.6554 32.7778 178.2184 46 S 4.4534 7.3581 113.9574 58.1878 63.6394 173.9815 47 T 4.1137 7.2396 120.8549 63.4175 69.0521 174.0345 48 T 4.5240 7.8235 118.9117 59.5705 69.8946 174.6409 49 A 4.0552 8.4890 125.7148 54.5779 18.4245 178.8910 50 A 4.1097 7.5010 117.3120 54.9068 18.6562 178.4980 51 T 3.9011 7.7615 113.3984 63.1119 68.8362 172.5358 52 P 4.3987 0.0000 0.0000 62.6996 32.0022 175.7442 53 V 4.4063 8.1808 119.2644 61.0435 33.9576 174.8338 54 K 4.7232 8.5520 125.1638 54.4213 35.5702 174.7586 55 E 4.5938 8.5081 120.9871 54.2688 31.7808 175.4107 56 V 4.0687 8.3072 125.6135 61.9940 32.2762 175.2464 57 L 4.4015 8.4377 127.2329 56.0713 42.8026 176.3757 58 E 4.1289 8.2064 120.0312 56.6584 29.2738 176.5968 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 Y 8.00 4.76 0.00 3.12 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 3 F 8.92 4.87 0.00 3.08 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 4 E 10.09 4.83 0.00 2.17 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 2.39 2.49 0.00 5 I 8.78 5.14 1.98 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 1.58 0.90 0.99 0.00 0.00 6 Y 8.67 5.04 0.00 3.09 3.11 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 7 K 9.06 5.24 0.00 1.62 1.74 0.00 1.53 0.00 0.00 2.27 0.00 0.00 2.13 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.20 1.05 7.81 8 D 8.28 4.77 0.00 2.95 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 9 A 8.55 3.93 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.64 3.83 0.00 1.75 1.89 0.00 1.63 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.44 7.81 11 G 7.95 3.97 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 0.00 12 E 7.67 4.32 0.00 2.10 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 0.00 2.27 2.21 0.00 13 Y 8.26 5.14 0.00 2.92 2.85 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 0.00 0.00 0.00 14 R 8.49 5.19 0.00 1.57 1.90 0.00 2.57 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.51 0.00 15 W 8.06 5.61 0.00 3.69 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.78 4.77 0.00 1.89 2.15 0.00 3.12 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.69 0.00 17 L 9.25 4.78 0.00 1.81 1.46 0.67 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.88 4.90 0.00 0.79 1.25 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.22 1.13 7.81 19 A 8.83 4.20 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 20 A 8.53 4.26 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 21 N 8.09 4.87 0.00 2.86 3.03 0.00 0.00 6.30 7.90 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 22 H 8.00 4.51 0.00 3.34 3.47 0.00 5.66 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 23 E 7.45 4.53 0.00 2.02 1.79 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 2.23 2.40 0.00 24 I 8.31 4.10 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.61 0.87 0.00 0.00 25 I 8.95 4.40 1.92 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 1.12 0.70 0.90 0.00 0.00 26 A 7.76 4.84 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 27 Q 8.68 4.32 0.00 1.77 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.71 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 28 G 6.10 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 29 E 8.55 4.35 0.00 1.74 1.63 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 2.18 2.25 0.00 30 G 8.27 4.01 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 0.00 0.00 0.00 31 Y 8.89 4.86 0.00 2.99 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 32 T 9.02 3.91 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 33 S 7.75 5.08 0.00 3.89 3.77 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 34 K 8.38 3.50 0.00 0.79 1.39 0.00 1.47 0.00 0.00 1.24 0.00 0.00 2.70 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.18 0.85 7.81 35 Q 7.86 3.83 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 36 N 8.05 4.30 0.00 2.93 2.89 0.00 0.00 6.71 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 37 C 7.61 3.05 0.00 2.90 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 38 Q 7.82 3.84 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 39 H 7.96 4.06 0.00 3.22 3.33 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.47 3.81 1.19 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 0.00 0.00 41 V 7.14 2.77 1.81 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 -0.05 0.00 0.00 0.48 0.00 0.00 42 D 7.43 4.17 0.00 2.70 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 43 L 7.58 4.02 0.00 1.71 1.60 0.75 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.65 3.89 0.00 1.47 1.53 0.29 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.67 4.23 0.00 1.93 1.91 0.00 1.23 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.35 7.81 46 S 7.36 4.45 0.00 3.98 4.10 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 47 T 7.24 4.11 4.51 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 0.00 0.00 0.00 1.21 0.00 0.00 48 T 7.82 4.52 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 1.22 0.00 0.00 49 A 8.49 4.06 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.50 4.11 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.76 3.90 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 52 P 0.00 4.40 0.00 2.18 2.06 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 53 V 8.18 4.41 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 0.88 0.00 0.00 0.99 0.00 0.00 54 K 8.55 4.72 0.00 1.74 1.66 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.38 7.81 55 E 8.51 4.59 0.00 1.87 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.31 0.00 56 V 8.31 4.07 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 0.89 0.00 0.00 0.94 0.00 0.00 57 L 8.44 4.40 0.00 1.67 1.70 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.21 4.13 0.00 2.05 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 2.28 2.38 0.00