NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5866 8.1633 120.5973 55.6892 33.8054 174.0559 2 Y 4.9766 8.8383 122.8701 55.9232 40.9188 173.3490 3 L 5.2907 9.0641 121.4433 52.8957 46.7465 176.1674 4 T 4.5630 9.2933 111.9090 61.5293 69.9360 175.2418 5 L 3.2213 8.9261 123.7651 58.3401 42.0301 178.9463 6 Q 3.9410 8.0424 118.6760 59.3183 28.8524 177.9848 7 E 3.9590 7.8659 117.9904 58.9986 29.7938 178.7287 8 W 4.1983 8.4469 128.8177 60.5850 30.7432 177.3578 9 N 3.9547 8.5742 116.9467 56.7286 38.1360 176.6199 10 A 4.0005 7.8882 120.7954 54.3867 18.5172 178.7672 11 R 4.2157 7.2581 114.1667 55.5796 30.8939 176.9208 12 Q 3.9107 6.7065 118.2515 55.0230 29.4555 176.1249 13 R 3.9180 8.4973 120.6637 58.9129 30.0749 176.6411 14 R 4.4650 7.4161 117.4237 52.8305 30.2035 172.1593 15 P 4.3844 0.0000 0.0000 62.4437 32.0798 175.8480 16 R 4.7451 7.6857 119.7080 53.5564 33.9391 176.0057 17 S 4.2929 8.1235 112.8375 58.5679 64.8813 175.0207 18 L 3.9618 8.3636 123.2031 57.9388 41.4056 179.6453 19 E 3.9127 8.0617 118.1376 59.6349 29.4104 179.2822 20 T 3.5972 7.4006 115.7081 66.5602 68.4309 176.8438 21 V 2.9100 7.1170 119.7137 65.8722 31.5364 178.2364 22 R 3.9416 8.1170 117.9183 59.2701 29.8678 179.2051 23 R 3.9736 8.0372 117.8846 59.1077 29.9728 179.1319 24 W 4.4378 8.1533 118.8016 59.7104 29.0585 178.7642 25 V 3.3928 8.0083 118.2712 66.1688 30.7563 178.2695 26 R 3.9878 7.8564 116.2333 59.0694 29.9902 178.0626 27 E 4.2364 8.2936 115.6643 55.5357 31.0219 176.1140 28 S 3.6397 7.5490 114.4532 59.9315 60.5313 172.3959 29 R 4.5233 8.4308 116.6160 55.9699 31.8007 177.4870 30 I 4.9017 7.5354 120.9823 59.3356 40.3129 174.1146 31 F 4.7631 9.1986 129.3022 55.4690 42.0739 172.6506 32 P 3.7032 0.0000 0.0000 61.1045 32.2573 174.4022 33 P 4.2996 0.0000 0.0000 61.3779 31.9248 174.5905 34 P 4.2807 0.0000 0.0000 62.6859 32.3116 175.6387 35 V 4.0853 8.3793 122.2650 61.8153 33.1909 174.7496 36 K 4.5105 8.6880 129.4704 55.4894 32.8900 175.6911 37 D 4.6589 9.1619 129.6634 52.9767 41.9739 177.7393 38 G 3.9455 8.1300 120.0652 46.5844 0.0000 173.5322 39 R 4.2814 8.8570 121.3691 55.7266 30.2489 175.4107 40 E 4.7608 7.7040 116.9032 54.7695 33.0530 174.8201 41 Y 4.9705 8.5744 118.3305 57.5936 39.8247 174.8132 42 L 5.1733 9.3022 122.2029 53.2740 44.9808 175.4368 43 F 4.9654 9.7059 123.6442 55.8233 41.1684 175.2558 44 H 3.8011 8.7876 122.9458 56.0253 30.4063 175.6629 45 E 3.9940 7.7788 124.0566 59.4247 29.4055 178.5142 46 S 4.5876 7.8499 109.3406 58.0699 63.8727 174.0241 47 A 4.5834 7.9484 123.6633 52.6688 18.8709 177.5068 48 V 4.9782 9.0152 112.7958 59.3263 36.5535 175.0060 49 K 4.5580 9.0315 124.6868 56.6007 32.6470 176.1699 50 V 4.5430 8.3412 126.3560 60.9735 34.6425 174.9213 51 D 4.5357 8.5700 124.9127 54.0344 41.6921 176.6747 52 L 4.2213 8.2623 120.6829 55.0538 41.8139 176.7542 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 8.16 4.59 0.00 2.23 2.01 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 2 Y 8.84 4.98 0.00 3.02 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 3 L 9.06 5.29 0.00 1.70 1.62 1.02 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 4 T 9.29 4.56 4.31 0.00 0.00 0.00 0.00 0.00 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 5 L 8.93 3.22 0.00 1.98 1.81 1.15 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 8.04 3.94 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 7 E 7.87 3.96 0.00 2.18 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 2.36 2.35 0.00 8 W 8.45 4.20 0.00 3.15 2.81 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 9 N 8.57 3.95 0.00 3.00 2.98 0.00 0.00 7.18 8.31 0.00 0.00 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 A 7.89 4.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.26 4.22 0.00 1.71 1.84 0.00 3.12 0.00 0.00 3.17 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 0.00 12 Q 6.71 3.91 0.00 1.86 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 1.22 1.20 0.00 13 R 8.50 3.92 0.00 1.69 1.92 0.00 3.20 0.00 0.00 3.12 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 14 R 7.42 4.46 0.00 1.75 1.82 0.00 3.37 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 15 P 0.00 4.38 0.00 2.04 1.99 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.26 0.00 16 R 7.69 4.75 0.00 1.42 1.65 0.00 3.40 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.85 0.00 17 S 8.12 4.29 0.00 3.99 3.94 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 0.00 0.00 0.00 0.00 18 L 8.36 3.96 0.00 1.69 1.75 0.97 0.89 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 19 E 8.06 3.91 0.00 1.92 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 2.38 2.33 0.00 20 T 7.40 3.60 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 0.50 0.00 0.00 21 V 7.12 2.91 2.00 0.00 0.00 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 0.81 0.00 0.00 22 R 8.12 3.94 0.00 2.04 2.03 0.00 3.28 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.83 0.00 23 R 8.04 3.97 0.00 2.01 2.19 0.00 3.09 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 24 W 8.15 4.44 0.00 3.56 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 25 V 8.01 3.39 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 0.09 0.00 0.00 0.65 0.00 0.00 26 R 7.86 3.99 0.00 2.03 2.03 0.00 3.24 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.94 0.00 27 E 8.29 4.24 0.00 2.03 2.04 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 2.36 2.48 0.00 28 S 7.55 3.64 0.00 4.03 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 R 8.43 4.52 0.00 1.81 1.72 0.00 3.10 0.00 0.00 3.03 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 30 I 7.54 4.90 1.58 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.36 0.60 0.00 0.00 31 F 9.20 4.76 0.00 3.10 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.70 0.00 1.75 1.29 0.00 3.66 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 33 P 0.00 4.30 0.00 2.07 1.98 0.00 3.13 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.89 0.00 34 P 0.00 4.28 0.00 1.34 1.13 0.00 3.17 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.44 0.00 35 V 8.38 4.09 2.00 0.00 0.00 0.00 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 0.85 0.00 0.00 36 K 8.69 4.51 0.00 1.69 1.61 0.00 1.04 0.00 0.00 1.42 0.00 0.00 2.73 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.26 0.85 7.81 37 D 9.16 4.66 0.00 2.67 2.49 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 38 G 8.13 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.86 4.28 0.00 1.87 2.00 0.00 2.96 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 40 E 7.70 4.76 0.00 2.01 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 2.31 2.27 0.00 41 Y 8.57 4.97 0.00 3.15 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 42 L 9.30 5.17 0.00 1.54 1.73 0.83 1.21 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 43 F 9.71 4.97 0.00 3.01 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.79 3.80 0.00 2.98 3.07 0.00 5.70 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 45 E 7.78 3.99 0.00 1.70 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 2.33 2.33 0.00 46 S 7.85 4.59 0.00 4.06 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 47 A 7.95 4.58 1.42 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 0.00 0.00 48 V 9.02 4.98 2.21 0.00 0.00 0.00 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 1.08 0.00 0.00 49 K 9.03 4.56 0.00 1.56 1.44 0.00 0.61 0.00 0.00 1.04 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.03 0.42 7.81 50 V 8.34 4.54 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 0.80 0.00 0.00 0.93 0.00 0.00 51 D 8.57 4.54 0.00 2.66 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.26 4.22 0.00 1.61 1.55 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00