NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.9162 8.1400 114.7988 57.7798 64.6567 174.0404 2 L 4.0213 8.7316 124.0510 58.2989 41.7545 178.1550 3 L 4.0604 8.7789 119.8136 57.8744 41.9812 178.7807 4 E 4.0369 8.1572 118.1476 59.2835 29.2997 179.0205 5 F 4.6520 8.8579 121.2953 61.5396 39.4723 177.3960 6 G 3.5489 8.4817 105.4030 47.6603 0.0000 175.6139 7 K 4.0315 8.2271 122.0345 59.3455 32.2269 178.5831 8 M 4.3145 8.4499 118.7461 58.7794 32.0883 178.2111 9 I 3.6143 7.9732 120.2280 64.2775 37.1792 178.1689 10 L 4.4250 7.8566 122.3235 57.7808 41.7226 178.7475 11 E 3.9826 8.2935 117.6762 59.4491 29.4740 178.7922 12 E 4.1173 8.2719 118.5118 58.8665 29.9024 177.9742 13 T 4.4558 8.1401 107.3095 60.7497 70.4062 175.7070 14 G 3.7978 8.3086 109.8634 45.7499 0.0000 173.1376 *16 K 4.4168 7.4475 117.9009 55.8833 33.4982 175.1129 17 L 4.3190 8.1775 122.4165 54.3573 42.5802 177.9073 18 A 4.0146 8.8960 126.5445 54.8159 18.5545 177.1600 19 I 4.6138 7.6656 116.6782 59.5094 38.0063 173.6422 20 P 4.9828 0.0000 0.0000 61.7801 31.7463 176.4998 21 S 4.2869 8.0186 116.1333 60.8941 62.7115 174.5963 22 Y 4.7341 8.2184 114.7675 57.3969 39.1413 176.1964 23 S 4.7070 8.1431 115.7390 59.6162 64.2774 175.3191 24 S 4.7769 7.7892 116.6841 57.7636 63.3293 172.3109 25 Y 4.8889 8.2989 123.0460 58.1801 40.1528 175.4819 26 G 3.5492 8.1789 116.7249 46.6431 0.0000 172.9501 27 C 4.5495 9.3300 115.6471 57.9922 40.9128 174.5379 28 Y 4.4535 8.6107 114.6493 57.4211 39.6623 174.7761 29 C 4.7732 8.5608 118.9112 57.7230 40.5321 174.1396 30 G 4.4683 10.8752 113.7441 47.0266 0.0000 173.7910 31 W 4.6955 7.7313 117.8261 54.7944 30.4354 174.8360 32 G 4.2393 8.0673 106.2812 45.2345 0.0000 173.3228 33 G 4.1514 7.6490 116.2093 45.5715 0.0000 173.5798 34 K 4.6669 7.7047 116.7134 55.0645 35.7082 175.5650 35 G 4.4767 9.4020 106.4530 45.1230 0.0000 173.2077 36 T 4.2838 8.0182 115.6851 61.5373 69.1918 173.6316 37 P 4.6576 0.0000 0.0000 63.0401 31.9031 176.8062 38 K 3.8035 8.6967 121.0243 58.9868 32.4113 176.1533 39 D 4.4245 7.2209 115.6550 51.5053 41.8537 175.6154 40 A 4.0066 8.5719 119.8216 55.7872 18.0736 179.7989 41 T 4.0297 8.0771 113.8123 67.0523 68.5270 176.1439 42 D 4.6063 9.0234 120.1988 57.5058 41.1788 178.5003 43 R 3.9509 8.2733 118.7768 59.2003 29.9576 178.2083 44 C 4.1937 8.3428 116.5336 60.3937 39.4911 175.6338 45 C 4.3593 8.1939 118.0067 59.7492 40.9992 175.7625 46 F 3.6112 8.5472 122.6719 61.3349 38.8625 177.4476 47 V 3.4756 8.0395 117.8001 66.1103 31.2272 177.4110 48 H 3.8766 8.2624 118.1020 59.1620 29.2182 176.9768 49 D 4.1253 8.1796 120.9936 57.5364 40.6715 178.1159 50 C 4.0897 7.8117 116.9504 59.9551 39.8910 175.3876 51 C 4.1238 7.9706 119.4684 60.0000 44.5520 175.0226 52 Y 4.3351 8.0608 118.5688 60.9707 37.1509 178.7034 53 G 3.6113 8.0897 106.0823 47.5203 0.0000 174.9400 54 N 4.5638 7.8735 116.9344 54.2919 39.7856 175.0037 55 L 4.8335 7.5243 119.8766 52.7850 42.0225 175.1713 56 P 4.1791 0.0000 0.0000 65.7467 32.2421 178.3862 *59 D 4.9509 7.8893 117.1711 54.3239 42.4819 175.3297 *61 C 5.1717 7.6469 116.0142 57.3312 42.8102 172.9566 *67 N 4.8369 7.9426 116.1497 52.9740 38.4310 173.7762 68 P 4.0809 0.0000 0.0000 64.7457 32.2590 179.3454 69 K 4.0973 8.1010 118.2036 58.5187 32.2251 178.5828 70 S 4.4582 7.7874 111.0977 58.7938 64.8239 174.0825 71 D 4.4157 8.0983 121.2753 53.9033 41.3687 175.4009 72 R 4.4867 8.4083 125.7747 55.0282 31.4796 175.0896 73 Y 4.9540 7.8457 119.2232 55.0235 41.1035 174.6774 74 K 4.9760 8.5501 119.0341 55.0664 35.1317 174.9641 75 Y 5.5144 8.2432 120.3344 55.7747 41.5082 173.2701 76 K 4.6913 9.2302 118.7352 55.4184 37.0262 174.7064 77 R 5.0991 8.5491 118.6568 54.5826 32.3611 176.8255 78 V 4.0723 9.0622 124.7870 61.6989 31.4122 173.0353 79 N 4.3466 9.5927 120.9621 53.5836 35.6207 172.9666 80 G 4.3063 8.3540 109.3509 45.2754 0.0000 172.0402 81 A 4.2434 7.6752 121.5770 51.5957 19.6552 176.9633 82 I 4.5649 8.3214 123.0054 60.8114 38.4734 175.5811 83 V 4.3421 9.0106 127.4357 60.9743 33.8636 173.9598 84 C 4.8622 8.8837 126.3650 57.2113 40.5721 173.4387 85 E 4.7100 8.9494 123.6265 54.5520 31.3419 176.1044 86 K 4.4205 7.9189 123.1452 55.9626 33.6117 175.3813 *88 G 4.2741 8.2737 114.8550 45.3057 0.0000 173.0751 89 T 4.2035 8.8267 115.2839 61.1304 70.9783 175.8425 90 S 4.0848 8.5089 117.3654 62.0260 62.7822 177.6413 91 C 4.2472 8.1415 118.5239 60.1347 40.1130 175.8866 92 E 3.9952 8.1657 120.0272 59.4788 28.5182 179.1538 93 N 4.2706 8.3777 116.6202 56.5022 38.6385 177.7666 94 R 3.9136 7.9949 119.3524 59.0622 30.1176 179.0669 95 I 3.6191 8.0182 120.0910 64.5354 37.1145 177.4969 96 C 2.9072 7.9485 119.3165 59.4266 40.4488 175.5472 97 E 3.7890 7.9519 120.0081 59.4058 28.9760 178.7092 98 C 4.1706 8.0764 116.6145 60.0583 39.9903 175.9681 99 D 3.7804 7.9858 120.4302 56.9221 40.3736 178.4573 100 K 3.6792 8.1659 120.3693 59.5841 32.0465 178.5045 101 A 3.8595 7.8098 120.4890 55.1091 18.2570 179.4806 102 A 3.4853 7.7711 118.9936 54.9770 18.3936 179.7121 103 A 3.9050 8.1907 119.5700 55.3165 18.3753 179.9112 104 I 3.6204 7.7781 118.3427 64.6140 36.9499 177.7812 105 C 4.1780 8.0787 118.4415 59.7235 37.8548 175.2971 106 F 4.5983 8.1658 119.7407 60.6662 37.9404 177.5769 107 R 3.9518 8.1593 118.3303 59.5600 29.7093 178.3050 108 Q 4.1793 8.3898 117.9733 57.9518 29.2598 176.1711 109 N 5.0864 7.7149 115.4644 52.9805 39.6368 176.2307 110 L 4.1932 7.8779 121.3438 57.7339 41.7758 179.1813 111 N 4.5378 8.3083 114.9521 54.9725 37.2781 175.3959 112 T 4.6087 7.8568 106.8977 60.8885 69.3377 173.4178 113 Y 4.1577 7.8936 124.1970 58.4705 39.4357 175.2449 114 S 4.9906 8.7831 122.2767 56.4201 66.0172 175.4198 115 K 4.0943 8.8200 125.2883 58.9143 32.0624 179.1433 116 K 3.8145 7.7469 116.9459 59.2608 32.4544 176.9867 117 Y 4.4132 7.2798 116.2762 58.0379 38.1436 175.3093 118 M 4.4015 7.6571 120.8336 56.2809 32.5529 175.9749 119 L 3.6650 8.2764 120.8577 55.7194 39.9897 174.6127 120 Y 4.1734 8.0869 118.7145 56.8927 39.7540 173.4703 121 P 4.3907 0.0000 0.0000 62.0249 32.4563 176.6339 122 D 4.2633 8.9284 122.3013 57.3012 41.1664 178.2333 *124 F 4.7115 7.8391 111.2814 56.5573 39.5673 175.3030 125 L 3.8478 6.7286 119.1439 54.7826 41.2360 176.1861 126 C 4.8915 8.0875 117.6721 54.8808 39.0756 173.1692 127 K 4.6965 8.3495 123.2359 55.2505 35.4437 176.4830 128 G 4.2843 8.8404 108.7430 46.1969 0.0000 172.5301 129 E 4.6563 8.3987 121.5128 55.0960 30.6876 175.7173 130 L 4.7230 8.3990 123.7349 52.8589 44.0147 176.2731 131 K 4.1235 8.4742 125.6742 56.6424 32.9095 177.8856 *133 C 4.9344 8.5531 118.2753 57.5119 41.5397 173.7810 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 S 8.14 4.92 0.00 4.13 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 2 L 8.73 4.02 0.00 1.93 1.84 1.22 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.78 4.06 0.00 1.76 1.74 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.16 4.04 0.00 2.08 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 2.25 2.23 0.00 5 F 8.86 4.65 0.00 3.38 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 6 G 8.48 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 7 K 8.23 4.03 0.00 1.91 2.07 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.50 7.81 8 M 8.45 4.31 0.00 2.39 2.23 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 9 I 7.97 3.61 1.81 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.07 0.57 0.00 0.00 10 L 7.86 4.42 0.00 1.77 1.83 0.95 0.63 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 11 E 8.29 3.98 0.00 2.17 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 0.00 2.41 2.64 0.00 12 E 8.27 4.12 0.00 2.09 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 2.49 2.38 0.00 13 T 8.14 4.46 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 1.28 0.00 0.00 14 G 8.31 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 *16 K 7.45 4.42 0.00 1.88 1.61 0.00 1.38 0.00 0.00 0.89 0.00 0.00 2.45 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.25 7.81 17 L 8.18 4.32 0.00 1.69 1.73 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.90 4.01 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 19 I 7.67 4.61 1.90 0.00 0.00 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 1.53 0.70 0.94 0.00 0.00 20 P 0.00 4.98 0.00 2.18 2.14 0.00 3.36 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 21 S 8.02 4.29 0.00 3.82 3.25 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 0.00 22 Y 8.22 4.73 0.00 2.78 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 23 S 8.14 4.71 0.00 4.09 4.20 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.79 4.78 0.00 4.00 4.07 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 0.00 0.00 0.00 0.00 25 Y 8.30 4.89 0.00 2.92 2.84 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 26 G 8.18 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 27 C 9.33 4.55 0.00 3.00 2.91 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 28 Y 8.61 4.45 0.00 3.25 3.26 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 29 C 8.56 4.77 0.00 3.59 3.53 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 30 G 10.88 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.73 4.70 0.00 3.26 3.29 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 0.00 0.00 0.00 0.00 32 G 8.07 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 0.00 0.00 0.00 0.00 33 G 7.65 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.70 4.67 0.00 2.02 1.80 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.30 1.66 7.81 35 G 9.40 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.02 4.28 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 1.15 0.00 0.00 37 P 0.00 4.66 0.00 1.95 2.05 0.00 3.47 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 38 K 8.70 3.80 0.00 0.79 0.74 0.00 1.69 0.00 0.00 1.40 0.00 0.00 2.73 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.93 0.21 7.81 39 D 7.22 4.42 0.00 2.82 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 40 A 8.57 4.01 1.43 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 0.00 0.00 41 T 8.08 4.03 4.41 0.00 0.00 0.00 0.00 0.00 0.00 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 42 D 9.02 4.61 0.00 3.00 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 43 R 8.27 3.95 0.00 2.08 1.95 0.00 3.10 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.82 0.00 44 C 8.34 4.19 0.00 3.23 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 45 C 8.19 4.36 0.00 3.38 3.52 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 0.00 0.00 0.00 46 F 8.55 3.61 0.00 2.59 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 47 V 8.04 3.48 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 0.94 0.00 0.00 1.06 0.00 0.00 48 H 8.26 3.88 0.00 3.11 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.18 4.13 0.00 2.62 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.81 4.09 0.00 2.92 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 51 C 7.97 4.12 0.00 2.94 3.04 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 52 Y 8.06 4.34 0.00 3.01 2.80 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 0.00 0.00 0.00 53 G 8.09 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.87 4.56 0.00 2.84 2.85 0.00 0.00 6.78 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.52 4.83 0.00 1.60 1.51 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.18 0.00 2.19 2.28 0.00 3.78 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 *59 D 7.89 4.95 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.65 5.17 0.00 3.00 2.99 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 *67 N 7.94 4.84 0.00 2.73 2.77 0.00 0.00 7.63 8.03 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 68 P 0.00 4.08 0.00 1.01 0.83 0.00 3.34 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.48 0.00 69 K 8.10 4.10 0.00 1.79 1.90 0.00 1.73 0.00 0.00 2.00 0.00 0.00 3.05 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.52 1.39 7.81 70 S 7.79 4.46 0.00 3.94 3.96 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 71 D 8.10 4.42 0.00 2.72 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.41 4.49 0.00 1.80 1.88 0.00 3.17 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 73 Y 7.85 4.95 0.00 3.06 3.06 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 0.00 0.00 0.00 74 K 8.55 4.98 0.00 1.75 1.89 0.00 1.64 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.36 7.81 75 Y 8.24 5.51 0.00 3.12 2.99 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 76 K 9.23 4.69 0.00 1.80 1.91 0.00 1.28 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.43 7.81 77 R 8.55 5.10 0.00 1.72 1.92 0.00 3.40 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 78 V 9.06 4.07 2.10 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 1.01 0.00 0.00 0.95 0.00 0.00 79 N 9.59 4.35 0.00 2.83 2.79 0.00 0.00 7.27 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.35 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 0.00 0.00 0.00 0.00 81 A 7.68 4.24 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.32 4.56 1.84 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 1.29 0.62 0.77 0.00 0.00 83 V 9.01 4.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.96 0.00 0.00 84 C 8.88 4.86 0.00 2.96 2.98 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 0.00 0.00 0.00 0.00 85 E 8.95 4.71 0.00 2.04 1.90 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 0.00 2.32 2.47 0.00 86 K 7.92 4.42 0.00 1.80 1.70 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.40 7.81 *88 G 8.27 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.83 4.20 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 90 S 8.51 4.08 0.00 3.87 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 91 C 8.14 4.25 0.00 2.95 3.10 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 92 E 8.17 4.00 0.00 2.31 2.12 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 2.54 2.54 0.00 93 N 8.38 4.27 0.00 2.84 2.83 0.00 0.00 7.07 8.21 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 94 R 7.99 3.91 0.00 1.82 1.92 0.00 3.10 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 95 I 8.02 3.62 2.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.61 0.94 0.00 0.00 96 C 7.95 2.91 0.00 2.19 2.89 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 97 E 7.95 3.79 0.00 2.07 1.89 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 2.42 2.42 0.00 98 C 8.08 4.17 0.00 3.17 2.95 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 99 D 7.99 3.78 0.00 2.68 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 0.00 100 K 8.17 3.68 0.00 1.62 1.88 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.38 7.81 101 A 7.81 3.86 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 0.00 102 A 7.77 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.19 3.91 1.38 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 0.00 0.00 104 I 7.78 3.62 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.73 0.88 0.00 0.00 105 C 8.08 4.18 0.00 2.89 2.98 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 0.00 0.00 0.00 0.00 106 F 8.17 4.60 0.00 3.02 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 0.00 107 R 8.16 3.95 0.00 1.97 2.13 0.00 3.17 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 108 Q 8.39 4.18 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.88 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 109 N 7.71 5.09 0.00 3.01 2.86 0.00 0.00 6.83 6.89 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 0.00 110 L 7.88 4.19 0.00 1.78 1.76 0.93 0.52 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 0.00 111 N 8.31 4.54 0.00 2.87 3.00 0.00 0.00 5.80 7.71 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 0.00 112 T 7.86 4.61 4.33 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 1.27 0.00 0.00 113 Y 7.89 4.16 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 0.00 114 S 8.78 4.99 0.00 3.74 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.82 4.09 0.00 1.81 1.90 0.00 1.72 0.00 0.00 1.91 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.74 1.56 7.81 116 K 7.75 3.81 0.00 1.60 1.71 0.00 1.21 0.00 0.00 1.40 0.00 0.00 2.48 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.59 0.24 7.81 117 Y 7.28 4.41 0.00 1.62 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 0.00 0.00 0.00 118 M 7.66 4.40 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.67 0.00 119 L 8.28 3.66 0.00 1.83 1.74 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 8.09 4.17 0.00 3.05 3.03 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 0.00 121 P 0.00 4.39 0.00 2.16 2.02 0.00 2.70 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 122 D 8.93 4.26 0.00 2.73 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 *124 F 7.84 4.71 0.00 3.23 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 6.73 3.85 0.00 1.08 1.50 0.39 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.09 4.89 0.00 3.03 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 0.00 127 K 8.35 4.70 0.00 1.78 1.68 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.39 7.81 128 G 8.84 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 0.00 0.00 0.00 0.00 129 E 8.40 4.66 0.00 2.00 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 2.33 2.42 0.00 130 L 8.40 4.72 0.00 1.63 1.56 0.73 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.47 4.12 0.00 1.90 1.75 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.57 1.50 7.81 *133 C 8.55 4.93 0.00 2.95 2.99 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 * Residues marked with a * may have inaccurate shift predictions.