NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3988 8.1633 120.6036 55.4943 34.2169 173.7298 2 Q 4.7497 8.3888 125.1372 52.7658 30.6426 173.2386 3 I 4.4551 8.9334 118.0973 58.9274 41.8146 173.9559 4 F 5.5178 8.7199 121.3562 55.8764 42.2681 175.1389 5 V 4.7467 8.7300 121.0586 61.2159 34.3552 174.4317 6 K 4.8926 8.8135 128.5825 55.9388 33.8013 176.7303 7 T 4.8599 8.5862 114.6496 59.7031 72.0433 174.6186 8 L 4.3407 8.3795 119.0809 55.2543 41.4298 177.9098 9 T 4.1778 7.5280 107.6362 61.8407 69.2451 175.8740 10 G 3.9426 8.0024 111.2995 44.7980 0.0000 173.7879 11 K 4.1155 7.8914 122.4152 56.8081 33.3284 175.5784 12 T 4.9530 8.4468 123.8371 62.3937 70.0519 173.9785 13 I 4.5110 8.8359 127.5640 60.0842 39.6862 174.6311 14 T 5.0776 8.5435 122.6097 62.0410 70.2175 173.9230 15 L 4.8271 8.7394 125.8202 52.9164 45.6200 175.2738 16 E 4.8525 8.6272 120.6341 55.0605 30.8722 175.6753 17 V 4.8308 9.1993 117.9178 59.5584 36.4044 174.5107 18 E 4.7805 8.7715 118.3490 53.8625 32.4773 175.5718 19 P 4.3091 0.0000 0.0000 65.3975 31.5524 178.2253 20 S 4.3775 7.8904 110.5848 59.1347 63.7576 174.0543 21 D 4.4539 8.5893 124.2097 54.1637 41.2173 176.2618 22 T 4.4945 8.3446 114.6723 61.5567 70.8293 175.2879 23 I 3.6953 8.5929 124.0243 64.6900 37.1425 178.3240 24 E 3.9497 8.1253 119.3324 59.7807 29.5206 179.1623 25 N 4.2880 8.3366 116.6839 56.5347 39.0101 176.8594 26 V 3.5632 7.8069 119.6497 66.1532 31.6148 177.9948 27 K 4.3073 8.6237 119.4733 58.8534 31.8143 179.0404 28 A 4.0001 8.0379 120.8699 55.1800 18.2361 179.8008 29 K 3.8998 7.9529 116.5505 59.6202 32.0784 179.5896 30 I 3.6891 7.7311 120.0446 64.4999 37.0715 178.2377 31 Q 4.1886 8.0398 121.6386 58.5779 28.5777 178.1286 32 D 4.3166 7.9649 119.2773 57.3813 41.0368 178.3607 33 K 4.1719 8.2554 118.6754 58.2255 32.3288 177.0881 34 E 4.5107 9.1227 116.3619 55.2666 31.7379 176.9517 35 G 3.9666 8.1366 106.6156 45.0148 0.0000 173.7534 36 I 3.8119 7.5662 121.3010 60.3757 37.5415 173.7262 37 P 4.4079 0.0000 0.0000 61.8508 32.0764 175.5309 38 P 4.2670 0.0000 0.0000 65.8464 31.3981 178.2350 39 D 4.4130 8.0244 115.7955 55.6211 39.7875 176.7486 40 Q 4.3746 8.1141 118.0512 55.9747 29.2589 174.6614 41 Q 4.8072 7.9626 118.7657 54.7713 30.9045 174.9780 42 R 4.8275 8.5746 120.9061 54.3271 34.3183 174.2310 43 L 5.2575 8.4981 122.1680 52.9956 44.7939 175.2219 44 I 4.9464 8.5913 124.2653 59.4998 40.1929 174.4987 45 F 5.1766 8.4902 127.7638 56.3078 43.1387 175.2818 46 A 3.0878 7.0220 126.3986 53.7445 17.2574 178.5427 47 G 3.9861 8.6596 105.9210 46.8368 0.0000 172.4471 48 K 4.5609 7.4436 119.8852 54.3495 34.6499 175.5851 49 Q 4.2695 8.4914 122.7464 56.5797 29.7511 175.1444 50 L 4.2873 8.4102 125.6106 53.3882 43.5672 176.0611 51 E 4.3607 9.4744 123.4567 55.7079 30.7011 177.1677 52 D 4.4263 9.2655 124.5681 57.7063 41.0733 179.5296 53 G 3.6195 8.0924 105.6347 47.6935 0.0000 173.6843 54 R 4.3758 7.8387 119.2642 55.2239 31.7115 174.9494 55 T 5.4399 7.8235 108.3449 58.9184 71.3915 175.5431 56 L 4.1139 8.3472 121.1277 57.7360 42.1698 180.0295 57 S 4.1270 8.4554 113.5873 61.4727 63.1091 175.9604 58 D 4.0712 7.8931 120.2007 57.0780 40.5291 177.3269 59 Y 4.5306 7.6848 113.3585 57.0815 38.0498 174.7423 60 N 4.1232 8.6713 118.2434 54.5217 37.8873 174.5747 61 I 3.5993 8.4160 119.3499 60.1758 37.1279 176.1663 62 Q 4.3683 7.9678 126.0408 53.4039 30.6389 174.9881 63 K 3.7501 8.3623 118.6774 58.7041 32.1009 176.1465 64 E 3.6139 8.6674 123.1841 56.8256 28.0948 174.7163 65 S 4.5635 7.6119 115.3995 58.9830 64.4497 173.2448 66 T 5.1077 8.5189 117.2621 62.1350 71.1709 174.1972 67 L 4.8935 8.9262 126.8562 53.9557 44.7946 175.0863 68 H 5.3503 9.0533 116.7987 54.0494 31.9425 173.1470 69 L 4.8779 8.8017 126.1426 54.6033 43.3079 176.1955 70 V 4.4675 8.5360 124.7505 61.1986 34.7327 174.6518 71 L 4.7193 8.6428 127.5941 54.3581 42.5870 177.1073 72 R 4.0796 8.2530 120.8739 55.9865 30.8354 177.1541 73 L 4.1406 8.4448 121.4045 55.2359 41.6206 177.0918 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 4.40 0.00 2.26 1.96 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 2 Q 8.39 4.75 0.00 1.88 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.62 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 3 I 8.93 4.46 1.70 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.59 0.78 0.00 0.00 4 F 8.72 5.52 0.00 2.97 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 5 V 8.73 4.75 2.11 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 1.07 0.00 0.00 0.93 0.00 0.00 6 K 8.81 4.89 0.00 1.62 1.69 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.30 7.81 7 T 8.59 4.86 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 1.22 0.00 0.00 8 L 8.38 4.34 0.00 1.65 1.73 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.53 4.18 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 10 G 8.00 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 0.00 0.00 0.00 11 K 7.89 4.12 0.00 1.89 1.70 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.43 7.81 12 T 8.45 4.95 4.18 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 1.12 0.00 0.00 13 I 8.84 4.51 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.68 0.93 0.00 0.00 14 T 8.54 5.08 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 1.25 0.00 0.00 15 L 8.74 4.83 0.00 1.49 1.48 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.63 4.85 0.00 1.80 1.84 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 2.18 2.23 0.00 17 V 9.20 4.83 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 0.65 0.00 0.00 0.90 0.00 0.00 18 E 8.77 4.78 0.00 2.01 1.97 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 2.15 2.23 0.00 19 P 0.00 4.31 0.00 2.18 2.13 0.00 3.56 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 2.09 2.05 0.00 20 S 7.89 4.38 0.00 3.97 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 21 D 8.59 4.45 0.00 2.81 2.63 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 22 T 8.34 4.49 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 23 I 8.59 3.70 2.07 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.07 0.91 0.00 0.00 24 E 8.13 3.95 0.00 2.04 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 2.35 2.42 0.00 25 N 8.34 4.29 0.00 2.83 2.98 0.00 0.00 6.93 7.32 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 26 V 7.81 3.56 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 0.95 0.00 0.00 0.96 0.00 0.00 27 K 8.62 4.31 0.00 2.00 1.86 0.00 1.74 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.57 7.81 28 A 8.04 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 3.90 0.00 2.01 1.86 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.73 7.81 30 I 7.73 3.69 2.16 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 1.41 0.72 0.95 0.00 0.00 31 Q 8.04 4.19 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 32 D 7.96 4.32 0.00 2.88 2.71 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 33 K 8.26 4.17 0.00 1.83 1.83 0.00 1.74 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.48 7.81 34 E 9.12 4.51 0.00 1.97 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 2.23 2.36 0.00 35 G 8.14 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 36 I 7.57 3.81 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.12 0.91 0.00 0.00 37 P 0.00 4.41 0.00 2.17 1.97 0.00 3.63 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.27 0.00 2.17 2.13 0.00 3.60 0.00 0.00 3.90 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 D 8.02 4.41 0.00 2.77 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 40 Q 8.11 4.37 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.89 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 41 Q 7.96 4.81 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 42 R 8.57 4.83 0.00 1.90 1.76 0.00 3.07 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 43 L 8.50 5.26 0.00 1.53 1.52 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.59 4.95 1.91 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 1.09 0.99 0.00 0.00 45 F 8.49 5.18 0.00 2.93 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.02 3.09 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 47 G 8.66 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.44 4.56 0.00 1.89 1.91 0.00 1.40 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.34 7.81 49 Q 8.49 4.27 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 50 L 8.41 4.29 0.00 1.40 1.21 0.75 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.47 4.36 0.00 2.08 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 2.37 2.40 0.00 52 D 9.27 4.43 0.00 2.72 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.09 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.84 4.38 0.00 2.06 1.76 0.00 3.02 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 55 T 7.82 5.44 4.37 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 1.25 0.00 0.00 56 L 8.35 4.11 0.00 1.70 1.69 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.46 4.13 0.00 3.99 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 58 D 7.89 4.07 0.00 2.60 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 7.68 4.53 0.00 2.97 3.12 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 0.00 0.00 0.00 60 N 8.67 4.12 0.00 2.84 3.01 0.00 0.00 7.11 5.12 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 61 I 8.42 3.60 1.71 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 0.38 0.45 0.00 0.00 62 Q 7.97 4.37 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 63 K 8.36 3.75 0.00 1.65 1.72 0.00 1.92 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.43 7.81 64 E 8.67 3.61 0.00 2.23 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 0.00 2.33 2.24 0.00 65 S 7.61 4.56 0.00 3.59 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.52 5.11 4.38 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 1.22 0.00 0.00 67 L 8.93 4.89 0.00 1.60 1.73 0.85 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.05 5.35 0.00 3.11 3.19 0.00 5.80 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.80 4.88 0.00 1.64 1.57 0.93 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.54 4.47 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 0.92 0.00 0.00 0.94 0.00 0.00 71 L 8.64 4.72 0.00 1.56 1.58 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.25 4.08 0.00 1.72 1.87 0.00 3.25 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 73 L 8.44 4.14 0.00 1.63 1.59 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00