NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9719 8.3393 109.7363 44.9226 0.0000 173.0131 0 S 4.5833 7.4800 113.6004 55.7349 66.1658 173.3790 1 M 4.1588 8.8155 120.9524 57.8535 32.7800 177.2688 2 S 4.7374 7.2491 108.0949 55.9113 66.1259 173.0917 3 D 4.4654 8.7596 121.1586 56.1789 39.5778 177.1416 4 Q 4.1775 7.8562 120.9645 55.2293 29.7512 176.4487 5 E 3.8236 8.9118 124.3027 58.2829 29.9119 176.9624 6 A 4.8031 7.1928 118.5685 50.0286 21.3460 175.6030 7 K 4.6777 8.1943 120.2416 53.4330 34.7892 174.8151 8 P 4.4544 0.0000 0.0000 62.5466 32.2840 177.6723 9 S 4.1376 8.6368 114.8368 61.7513 63.2667 176.7548 10 T 3.9805 7.8680 116.9003 66.2670 68.5180 175.0871 11 E 3.9482 7.8815 121.6069 58.6240 29.7511 176.3342 12 D 4.7028 7.4178 117.5222 52.6481 41.7485 175.9582 13 L 4.0060 8.6053 127.5447 56.1618 42.2282 178.6295 14 G 3.7517 7.9520 105.6073 44.5986 0.0000 170.8693 15 D 4.7917 8.4744 119.1358 52.1935 42.8137 176.6123 16 K 4.2617 8.6064 126.6812 55.3328 31.5032 176.0332 17 K 4.5530 8.3409 124.8184 54.2543 34.2231 176.5727 18 E 4.2722 9.0856 126.2434 58.6448 30.2749 177.2556 19 G 3.8832 6.8478 103.2517 46.1183 0.0000 173.5625 20 E 4.3997 7.7285 122.9610 56.5248 30.8530 175.0964 21 Y 5.5362 7.2754 116.4241 56.8838 40.3562 175.2597 22 I 5.0616 9.1907 117.3644 58.6617 41.5002 174.8478 23 K 4.2865 8.2254 124.3901 55.0933 31.8002 173.3994 24 L 5.0455 8.3006 128.4721 52.5488 44.3229 174.7250 25 K 5.3800 8.2532 124.9699 54.2159 35.1902 175.4013 26 V 5.3264 8.5681 116.6308 58.3562 35.0504 174.5316 27 I 4.5948 8.1445 117.1717 58.9858 41.3506 174.3041 28 G 4.7791 8.3133 110.0537 44.0316 0.0000 174.2670 29 Q 4.0435 8.5867 122.7931 58.6586 29.1281 177.8889 30 D 4.3958 7.9786 115.0950 53.4128 39.2942 176.0677 31 S 3.6960 7.7042 112.9800 60.6262 60.8012 172.0417 32 S 4.8279 7.8489 115.1780 56.7314 65.3631 173.8543 33 E 4.7546 8.7807 124.9527 54.4599 31.9694 175.2877 34 I 4.3845 8.0900 126.2385 59.8208 39.6879 173.2653 35 H 5.2853 8.5443 123.9483 54.2659 30.3411 173.9556 36 F 4.8241 8.4297 117.6327 56.3244 41.7314 172.6445 37 K 5.4652 8.5495 117.9173 54.1604 34.2661 175.9265 38 V 4.6107 7.9931 122.7580 60.9715 35.8046 173.3561 39 K 5.7180 8.6607 120.3246 54.3678 34.1395 176.9447 40 M 4.8065 8.1796 120.6292 54.7728 31.9834 175.8423 41 T 4.3445 7.6810 113.8830 63.7936 70.4831 174.6378 42 T 4.5221 7.2946 109.4752 59.3389 71.6427 172.2187 43 H 4.1801 7.8334 118.4861 56.1740 29.0993 175.7241 44 L 4.4688 8.1792 117.8176 56.4784 40.1016 178.3886 45 K 3.9085 7.7571 122.5586 59.9406 31.7633 178.8582 46 K 3.8562 8.0680 118.2915 59.2751 31.8189 178.9609 47 L 4.1405 7.8988 120.2826 58.2067 42.0955 178.9449 48 K 4.4669 8.2179 118.7152 59.5914 32.6698 178.6599 49 E 4.1088 9.0584 121.7483 59.3948 29.6227 178.9746 50 S 4.1478 7.8737 114.7948 61.8264 62.7654 176.1178 51 Y 4.2327 7.9387 122.1847 60.8282 38.4937 177.9926 52 C 4.3203 9.0574 120.0527 62.5607 28.1090 176.1762 53 Q 4.0120 8.0830 118.6689 58.8093 28.3832 178.6726 54 R 4.0678 8.0158 116.1740 58.1609 29.5539 176.7787 55 Q 4.2892 7.0928 115.4833 55.6816 30.9032 176.1024 56 G 3.8471 7.7242 102.6571 44.4062 0.0000 173.1404 57 V 3.7743 7.9352 125.8208 60.9060 30.7153 175.5500 58 P 5.1721 0.0000 0.0000 64.6666 31.5369 178.1481 59 M 4.3765 8.1775 117.7430 57.5557 31.9042 176.6346 60 N 5.0720 7.8903 112.3013 52.4785 39.4025 174.9609 61 S 4.6545 7.8577 111.1836 59.3114 68.9865 174.2740 62 L 5.0107 8.0289 118.5109 53.7486 43.6851 175.9492 63 R 5.2709 8.8689 121.4870 54.7127 33.9197 173.8921 64 F 5.1149 9.2325 123.3249 55.7382 41.8166 173.7795 65 L 4.5872 9.5543 127.4645 54.4147 43.6137 174.1982 66 F 4.6489 9.1321 126.9129 59.0749 41.7190 176.3070 67 E 4.1650 9.1274 123.9954 57.3340 30.5474 178.7815 68 G 4.7586 6.2474 120.1917 45.9974 0.0000 172.1280 69 Q 4.7206 7.2560 117.8549 53.4398 31.3854 174.6480 70 R 4.4222 8.5827 119.7357 56.9237 30.5029 175.5397 71 I 4.5795 8.3301 119.4690 59.4949 40.8034 173.4939 72 A 5.0013 8.2377 123.5930 49.9794 21.7417 176.9743 73 D 4.8987 8.6225 117.4203 53.3118 39.7499 175.6065 74 N 4.4919 8.1602 114.9482 53.1868 37.7626 173.8654 75 H 4.7331 7.8453 114.6855 55.0429 29.3942 173.3569 76 T 4.0749 8.3082 122.1251 66.0135 68.9735 175.9451 77 P 4.3008 0.0000 0.0000 65.1049 32.5760 178.1282 78 K 3.8964 8.3945 116.8242 57.8333 31.0752 176.3707 79 E 4.6122 9.0691 113.6539 56.2880 31.0769 176.1161 80 L 4.6122 7.7153 118.3681 54.7350 41.8031 177.6532 81 G 3.9169 7.9970 105.8264 45.9435 0.0000 174.5387 82 M 4.3873 7.4664 118.8592 54.8980 32.8345 175.8397 83 E 4.5571 8.7419 118.2837 57.4018 31.7569 176.9930 84 E 4.8606 7.9438 114.0407 55.7330 33.0250 175.2802 85 E 4.9227 8.1465 119.1550 54.4023 30.6351 173.5025 86 D 5.2033 8.8930 123.0087 52.1496 44.7516 174.7887 87 V 4.6292 7.7047 121.8165 60.1723 34.6968 174.4068 88 I 4.5448 8.0880 122.4963 59.5869 41.8546 173.7784 89 E 4.8900 9.5726 125.7454 54.5418 32.4305 175.4063 90 V 5.1271 8.5813 117.4352 58.9681 35.3085 174.2982 91 Y 4.6763 8.4635 121.3790 56.5720 39.9434 174.4572 92 Q 5.1307 8.7186 123.4658 54.3884 30.4566 175.2491 93 E 4.5681 8.8553 123.1978 56.6090 31.4537 176.0122 94 Q 4.6680 8.0266 116.4952 54.2652 32.4445 174.8614 95 T 4.2306 8.6894 109.5988 61.0617 70.1396 175.6811 96 G 4.0065 9.6320 106.6939 45.8213 0.0000 172.3384 97 G 4.0371 7.6577 104.7015 44.9221 0.0000 174.2870 98 H 4.2771 8.7077 115.6699 56.6941 29.1378 176.0921 99 S 4.3820 6.7783 115.2041 57.9456 63.7046 174.4909 100 T 3.8134 8.5376 118.5604 65.2375 68.5102 174.7296 101 V 3.6140 7.7936 124.1464 63.3133 32.5523 172.3856 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 G 8.34 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 0 S 7.48 4.58 0.00 4.02 4.03 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 0.00 0.00 0.00 1 M 8.82 4.16 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 2 S 7.25 4.74 0.00 3.78 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 3 D 8.76 4.47 0.00 2.82 2.79 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 0.00 0.00 0.00 4 Q 7.86 4.18 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.94 0.00 0.00 0.00 0.00 0.00 2.64 2.38 0.00 5 E 8.91 3.82 0.00 2.00 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 0.00 2.31 2.25 0.00 6 A 7.19 4.80 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 7 K 8.19 4.68 0.00 1.73 1.71 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.33 7.81 8 P 0.00 4.45 0.00 2.29 2.18 0.00 3.44 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 9 S 8.64 4.14 0.00 4.02 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 0.00 10 T 7.87 3.98 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 11 E 7.88 3.95 0.00 1.88 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 0.00 2.32 2.30 0.00 12 D 7.42 4.70 0.00 2.74 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.61 4.01 0.00 1.67 1.71 0.92 0.99 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 14 G 7.95 3.75 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 15 D 8.47 4.79 0.00 2.61 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.61 4.26 0.00 1.78 1.73 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.36 7.81 17 K 8.34 4.55 0.00 1.72 1.60 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.36 7.81 18 E 9.09 4.27 0.00 2.10 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 2.35 2.64 0.00 19 G 6.85 3.88 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 0.00 0.00 0.00 20 E 7.73 4.40 0.00 1.84 1.91 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 1.47 1.60 0.00 21 Y 7.28 5.54 0.00 2.97 2.79 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 0.00 0.00 0.00 22 I 9.19 5.06 1.85 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.87 0.95 0.00 0.00 23 K 8.23 4.29 0.00 1.77 1.90 0.00 1.57 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.33 7.81 24 L 8.30 5.05 0.00 1.62 0.99 0.77 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.25 5.38 0.00 1.70 1.86 0.00 1.57 0.00 0.00 1.88 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.12 7.81 26 V 8.57 5.33 1.71 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 0.90 0.00 0.00 -0.17 0.00 0.00 27 I 8.14 4.59 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.78 0.78 0.00 0.00 28 G 8.31 4.78 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 0.00 0.00 0.00 29 Q 8.59 4.04 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 7.20 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 30 D 7.98 4.40 0.00 2.79 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 7.70 3.70 0.00 4.05 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 32 S 7.85 4.83 0.00 3.84 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 33 E 8.78 4.75 0.00 1.93 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 2.21 2.27 0.00 34 I 8.09 4.38 1.89 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 1.28 0.90 0.50 0.00 0.00 35 H 8.54 5.29 0.00 3.10 3.25 0.00 5.74 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.43 4.82 0.00 3.02 3.05 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 37 K 8.55 5.47 0.00 1.56 1.79 0.00 1.75 0.00 0.00 2.30 0.00 0.00 2.76 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.39 1.21 7.81 38 V 7.99 4.61 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 1.08 0.00 0.00 0.71 0.00 0.00 39 K 8.66 5.72 0.00 1.87 2.16 0.00 1.23 0.00 0.00 2.46 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.50 1.39 7.81 40 M 8.18 4.81 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 41 T 7.68 4.34 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 1.18 0.00 0.00 42 T 7.29 4.52 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 1.18 0.00 0.00 43 H 7.83 4.18 0.00 3.30 3.23 0.00 5.81 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.18 4.47 0.00 2.12 1.83 1.05 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.76 3.91 0.00 1.86 1.88 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.67 1.47 7.81 46 K 8.07 3.86 0.00 1.86 1.91 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.47 7.81 47 L 7.90 4.14 0.00 1.75 1.94 1.04 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.22 4.47 0.00 1.95 2.36 0.00 1.05 0.00 0.00 0.84 0.00 0.00 2.72 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.47 1.76 7.81 49 E 9.06 4.11 0.00 2.03 2.06 0.00 0.00 0.00 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 2.35 0.00 50 S 7.87 4.15 0.00 4.04 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 51 Y 7.94 4.23 0.00 3.25 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 52 C 9.06 4.32 0.00 3.01 2.92 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 0.00 0.00 0.00 53 Q 8.08 4.01 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 54 R 8.02 4.07 0.00 1.94 2.11 0.00 3.05 0.00 0.00 3.28 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.60 0.00 55 Q 7.09 4.29 0.00 1.76 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.08 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 56 G 7.72 3.85 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 0.00 0.00 0.00 57 V 7.94 3.77 2.06 0.00 0.00 0.00 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 58 P 0.00 5.17 0.00 2.21 2.50 0.00 3.84 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.74 0.00 59 M 8.18 4.38 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 60 N 7.89 5.07 0.00 2.77 2.88 0.00 0.00 6.83 7.29 0.00 0.00 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 S 7.86 4.65 0.00 3.84 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 62 L 8.03 5.01 0.00 1.94 1.80 1.00 0.82 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 63 R 8.87 5.27 0.00 2.01 2.04 0.00 3.07 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 64 F 9.23 5.11 0.00 3.15 3.21 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 0.00 0.00 0.00 0.00 65 L 9.55 4.59 0.00 2.10 1.84 1.16 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 66 F 9.13 4.65 0.00 3.19 2.83 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 0.00 0.00 0.00 67 E 9.13 4.16 0.00 2.21 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 0.00 2.72 2.49 0.00 68 G 6.25 4.76 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 0.00 0.00 0.00 69 Q 7.26 4.72 0.00 2.25 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.30 0.00 70 R 8.58 4.42 0.00 1.89 1.93 0.00 3.24 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 71 I 8.33 4.58 1.89 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.05 1.19 0.00 0.00 72 A 8.24 5.00 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 73 D 8.62 4.90 0.00 2.70 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 74 N 8.16 4.49 0.00 2.60 2.72 0.00 0.00 5.96 7.89 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 75 H 7.85 4.73 0.00 3.14 3.29 0.00 5.71 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.31 4.07 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 1.19 0.00 0.00 77 P 0.00 4.30 0.00 2.04 2.12 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 2.03 2.08 0.00 78 K 8.39 3.90 0.00 1.69 1.61 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.51 7.81 79 E 9.07 4.61 0.00 1.82 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 2.27 2.30 0.00 80 L 7.72 4.61 0.00 1.84 1.58 0.46 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.00 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 82 M 7.47 4.39 0.00 2.28 2.08 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.71 0.00 83 E 8.74 4.56 0.00 2.11 2.16 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 2.26 2.29 0.00 84 E 7.94 4.86 0.00 1.88 1.91 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 2.30 2.32 0.00 85 E 8.15 4.92 0.00 1.78 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 0.00 2.19 2.28 0.00 86 D 8.89 5.20 0.00 2.76 2.42 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 87 V 7.70 4.63 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 0.73 0.00 0.00 0.81 0.00 0.00 88 I 8.09 4.54 1.65 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 1.30 -0.36 1.01 0.00 0.00 89 E 9.57 4.89 0.00 1.82 1.52 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 0.00 2.14 2.15 0.00 90 V 8.58 5.13 1.77 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 -0.81 0.00 0.00 0.77 0.00 0.00 91 Y 8.46 4.68 0.00 3.00 2.92 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 0.00 0.00 0.00 92 Q 8.72 5.13 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 93 E 8.86 4.57 0.00 2.02 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 2.25 2.28 0.00 94 Q 8.03 4.67 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.61 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 95 T 8.69 4.23 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 96 G 9.63 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 97 G 7.66 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 98 H 8.71 4.28 0.00 3.30 3.45 0.00 5.53 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 6.78 4.38 0.00 3.87 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 0.00 100 T 8.54 3.81 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 1.21 0.00 0.00 101 V 7.79 3.61 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.96 0.00 0.00