NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.6781 8.2649 122.4639 51.9748 19.9354 175.9408 3 R 4.5273 8.6476 120.9298 54.1727 34.9316 173.1436 4 L 4.9418 8.3322 121.6597 54.4620 43.7275 175.4551 5 K 4.3812 8.9832 119.2421 56.3733 36.5253 175.4568 6 N 4.4707 8.8371 114.5198 54.0893 35.8677 174.2374 7 L 4.8617 7.5998 116.3241 51.8238 45.1819 174.7694 8 P 4.4399 0.0000 0.0000 63.0488 31.8820 176.1433 9 Q 4.5438 8.5633 118.3820 56.1036 30.9393 176.4153 10 E 4.3817 8.1510 116.1104 57.5454 30.4537 176.2240 11 R 4.6733 7.3842 112.4350 53.9271 32.1556 172.8219 12 P 4.5759 0.0000 0.0000 62.6238 32.3514 175.4946 13 L 4.8380 7.9043 118.0896 52.0926 45.9336 174.7735 14 P 4.3267 0.0000 0.0000 62.4775 32.2198 177.1560 15 L 3.9159 8.9003 124.6768 58.4874 41.4827 179.1496 16 A 4.1268 8.0348 119.9932 54.7380 18.1574 179.1857 17 S 4.2512 7.7385 111.6514 60.7072 63.1603 175.9871 18 L 4.2117 7.6657 121.6847 55.4888 41.8141 176.6458 19 I 4.4890 7.0245 117.4219 59.1258 41.0338 173.5953 20 E 4.7095 8.0704 127.7642 55.4509 32.2528 173.9981 21 A 4.2506 7.8152 116.3586 51.5133 21.6662 176.8117 22 R 4.1706 8.0413 121.7426 55.5258 30.9823 176.0766 23 E 4.0140 8.4768 118.9597 58.3355 29.8068 177.2295 24 N 4.5900 8.8915 117.1009 53.7083 36.4192 173.6135 25 Q 4.7926 7.7813 116.7098 54.0019 33.2248 174.2786 26 V 4.6679 8.2606 119.9529 60.9920 33.9614 174.3752 27 L 4.8311 8.6373 129.3299 53.5000 45.2369 175.7295 28 S 5.1341 8.1908 117.4398 55.5345 65.6590 172.2961 *30 A 4.1281 8.3763 121.3450 52.8041 19.2638 176.6038 31 L 5.0799 9.1873 120.8814 53.8839 43.4823 176.0824 32 A 4.9526 7.7882 119.8928 50.0766 22.4973 175.6690 33 Q 4.4092 9.2536 123.7798 54.9916 29.9507 174.0286 34 S 4.8494 8.1041 119.0972 57.2914 64.9218 174.0072 35 D 4.4974 9.0776 127.9896 56.8503 41.2904 177.9631 36 R 4.8385 8.2455 118.6834 56.4474 31.9258 181.5746 37 V 4.8657 7.6031 115.5423 60.5912 34.6439 174.5024 38 Q 4.6227 9.1782 123.4018 54.2197 31.3272 174.4854 39 I 4.9556 8.2984 124.5636 59.6177 40.4066 174.7866 40 S 4.8208 9.1843 122.5157 56.7559 67.6075 172.9866 41 L 5.0628 8.2451 122.6135 53.2489 44.2648 175.4031 42 F 5.0896 8.7531 120.1700 55.6472 43.4564 173.6068 43 S 4.8838 8.8927 117.3853 56.5978 65.1463 172.3963 44 F 4.8538 8.8625 126.5551 55.5043 41.1126 175.9363 45 A 4.6500 8.9213 125.5150 51.4208 20.2416 175.6340 46 D 4.5152 8.5858 116.7953 53.7295 41.9227 178.0819 47 G 3.7208 8.6931 114.8046 47.7476 0.0000 173.3264 48 E 4.6508 8.2924 120.5608 56.4322 31.1939 175.5159 49 S 4.6287 8.6661 116.3475 58.3955 66.3918 174.6630 50 V 4.5252 8.4170 120.6949 59.7608 33.1548 177.0119 51 S 4.8242 8.6607 121.2829 56.5452 64.4430 173.5572 52 E 4.1878 8.7227 118.7522 57.6354 29.4216 176.9802 53 E 4.8099 9.1736 122.9810 54.4548 34.3693 174.4353 54 E 4.7891 8.2331 118.3449 55.0659 32.6964 174.1065 55 Y 5.1014 8.5121 119.7321 56.1233 41.6370 175.8647 56 F 4.2771 9.3631 119.4585 57.5718 39.2445 175.2408 57 G 4.4528 7.5184 107.5885 44.9731 0.0000 172.3311 58 D 4.9950 8.6965 119.3744 54.7938 42.0096 175.9778 59 T 5.0538 8.5756 118.0826 61.5185 71.9672 173.3467 60 L 4.8890 8.7933 125.2684 54.0934 43.8101 174.6767 61 Y 5.2494 8.7733 118.9517 56.1901 40.8809 174.2946 62 L 5.1543 9.0897 126.4817 53.2559 44.7001 175.7228 63 I 4.2149 8.8410 128.3490 61.3188 37.5824 176.6875 64 L 4.5301 9.0203 127.7893 56.6081 42.9633 177.0023 65 Q 4.4472 8.3011 117.3100 56.3704 32.4766 175.6757 66 G 4.4063 8.8618 113.4073 45.4207 0.0000 171.9485 67 E 4.9856 8.3558 115.5577 54.7131 33.8780 174.9955 68 A 4.5873 8.2946 122.5331 50.5342 23.6157 175.0200 69 V 4.6206 8.4844 118.6575 61.1123 34.7439 173.9985 70 I 4.9028 8.6329 128.5357 59.3699 40.4767 174.0900 71 T 5.2855 8.9556 119.1684 59.0464 71.6552 172.7732 72 F 5.0802 8.2137 116.9737 55.9159 41.1545 175.6462 73 D 4.4169 9.0478 121.0573 56.2964 40.1665 174.2736 74 D 4.8424 8.8825 125.4707 54.9959 41.3337 175.0967 75 Q 4.4425 7.8498 119.2151 54.1687 31.2023 175.0079 76 K 4.4699 8.2888 122.7139 54.9219 34.7898 175.0791 77 I 4.4559 8.6857 129.4833 59.3678 39.7876 175.0195 78 D 4.9023 8.6980 127.3559 53.9916 41.8666 175.7981 79 L 5.0174 8.9785 122.7230 53.0738 45.4252 175.9735 80 V 4.8274 8.9622 115.0694 58.3867 36.3281 173.3601 81 P 4.6566 0.0000 0.0000 64.5938 31.4998 176.9107 82 E 4.1816 9.2648 121.7307 56.2191 28.9446 175.1794 83 D 4.6854 7.9996 119.5841 54.3794 41.8188 175.8959 84 V 5.3771 8.2912 121.4613 59.6201 34.3650 175.0792 85 L 4.3083 7.9000 122.4060 54.3993 45.6827 173.6834 *87 V 3.9558 8.4065 117.6446 62.1179 32.8423 174.6682 88 P 4.8782 0.0000 0.0000 61.9990 32.8393 175.6056 89 A 4.2434 8.5902 123.2653 53.7519 18.5553 177.7265 90 H 4.0835 8.9100 117.6326 56.0915 27.1144 174.5977 91 K 4.3063 7.7332 121.8388 55.4738 32.4084 176.6202 92 I 4.3736 8.4053 129.5032 61.7296 37.7572 175.0880 93 H 5.3114 9.2585 121.1516 54.6344 32.4276 172.0523 94 A 4.9799 9.0922 119.8294 50.3799 23.1466 175.0871 95 I 4.9309 8.3230 118.8940 59.3756 41.1762 174.6507 96 A 4.9928 8.7402 127.4264 49.8055 22.5103 175.5219 97 G 3.8475 9.0647 109.3262 46.2845 0.0000 174.5411 98 K 4.3290 8.6635 124.8181 54.6393 31.2581 177.2737 99 G 4.3640 8.4122 112.5805 44.2087 0.0000 170.6311 100 R 4.6269 8.2516 116.8887 56.4739 31.3119 176.1507 101 F 5.1894 8.9144 116.1515 55.8919 42.0438 172.8353 102 K 5.6661 9.0916 118.1664 53.3851 37.0846 174.9552 *104 L 4.5949 8.1953 121.6927 55.2631 43.5468 174.7810 105 Q 5.1272 9.3647 127.5101 54.3616 31.9814 173.9501 106 I 4.9058 8.6220 126.9573 59.8126 40.5097 174.4947 107 T 4.8170 8.7560 124.1103 61.6585 71.4505 174.4679 108 L 4.5856 8.6091 127.2246 54.3252 43.9703 176.3236 109 I 4.7524 8.8134 122.5232 59.8881 38.0080 177.0181 110 D 4.6927 8.2870 123.6405 52.9958 40.4135 176.0680 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 A 8.26 4.68 1.25 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 0.00 0.00 3 R 8.65 4.53 0.00 1.67 1.75 0.00 3.27 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.81 0.00 4 L 8.33 4.94 0.00 1.51 1.57 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.98 4.38 0.00 1.75 1.84 0.00 1.41 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.30 1.52 7.81 6 N 8.84 4.47 0.00 2.98 2.93 0.00 0.00 6.69 7.85 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 7 L 7.60 4.86 0.00 1.56 1.51 0.91 1.08 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 8 P 0.00 4.44 0.00 2.45 2.04 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 9 Q 8.56 4.54 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.01 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 10 E 8.15 4.38 0.00 1.95 1.99 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 2.25 2.28 0.00 11 R 7.38 4.67 0.00 1.86 1.84 0.00 3.19 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 12 P 0.00 4.58 0.00 2.20 2.09 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 13 L 7.90 4.84 0.00 1.59 1.54 0.92 1.04 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 14 P 0.00 4.33 0.00 2.18 1.99 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 15 L 8.90 3.92 0.00 1.76 1.69 0.93 1.34 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 16 A 8.03 4.13 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.74 4.25 0.00 4.07 4.02 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 18 L 7.67 4.21 0.00 1.73 1.74 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.02 4.49 1.82 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.75 0.89 0.00 0.00 20 E 8.07 4.71 0.00 1.90 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.32 0.00 21 A 7.82 4.25 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.04 4.17 0.00 1.92 1.86 0.00 3.19 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 23 E 8.48 4.01 0.00 2.22 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 2.32 1.92 0.00 24 N 8.89 4.59 0.00 2.89 2.96 0.00 0.00 7.06 7.69 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 25 Q 7.78 4.79 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.48 0.00 26 V 8.26 4.67 1.98 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 0.17 0.00 0.00 0.92 0.00 0.00 27 L 8.64 4.83 0.00 1.62 1.33 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.19 5.13 0.00 3.10 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 *30 A 8.38 4.13 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 31 L 9.19 5.08 0.00 1.52 1.66 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.79 4.95 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 9.25 4.41 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.63 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 34 S 8.10 4.85 0.00 3.86 3.87 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 35 D 9.08 4.50 0.00 2.68 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.25 4.84 0.00 1.51 1.91 0.00 3.22 0.00 0.00 3.31 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.26 0.00 37 V 7.60 4.87 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 0.84 0.00 0.00 0.93 0.00 0.00 38 Q 9.18 4.62 0.00 1.89 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 39 I 8.30 4.96 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.65 0.90 0.00 0.00 40 S 9.18 4.82 0.00 3.80 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 41 L 8.25 5.06 0.00 1.48 1.52 0.95 1.06 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 42 F 8.75 5.09 0.00 3.09 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.89 4.88 0.00 3.73 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 44 F 8.86 4.85 0.00 2.56 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 45 A 8.92 4.65 1.40 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 0.00 0.00 0.00 46 D 8.59 4.52 0.00 2.82 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 47 G 8.69 3.72 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 0.00 0.00 0.00 48 E 8.29 4.65 0.00 2.29 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 2.55 2.66 0.00 49 S 8.67 4.63 0.00 3.97 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 50 V 8.42 4.53 2.08 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 0.76 0.00 0.00 0.93 0.00 0.00 51 S 8.66 4.82 0.00 3.87 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 52 E 8.72 4.19 0.00 1.85 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 2.31 2.36 0.00 53 E 9.17 4.81 0.00 1.43 1.12 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 2.34 2.35 0.00 54 E 8.23 4.79 0.00 1.86 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 2.20 2.29 0.00 55 Y 8.51 5.10 0.00 3.10 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 56 F 9.36 4.28 0.00 2.99 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 57 G 7.52 4.45 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 0.00 0.00 0.00 58 D 8.70 5.00 0.00 2.57 2.55 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 59 T 8.58 5.05 4.06 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 0.54 0.00 0.00 60 L 8.79 4.89 0.00 1.62 1.65 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.77 5.25 0.00 2.95 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 62 L 9.09 5.15 0.00 1.62 1.60 1.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.84 4.21 2.11 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 1.27 0.65 1.08 0.00 0.00 64 L 9.02 4.53 0.00 1.60 1.78 0.99 1.02 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 65 Q 8.30 4.45 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.55 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 66 G 8.86 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 0.00 0.00 0.00 0.00 67 E 8.36 4.99 0.00 1.83 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 0.00 2.25 2.27 0.00 68 A 8.29 4.59 0.04 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 69 V 8.48 4.62 1.94 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 0.91 0.00 0.00 0.87 0.00 0.00 70 I 8.63 4.90 1.75 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.34 1.00 0.00 0.00 71 T 8.96 5.29 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 1.12 0.00 0.00 72 F 8.21 5.08 0.00 3.19 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 73 D 9.05 4.42 0.00 2.94 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 0.00 0.00 0.00 74 D 8.88 4.84 0.00 2.60 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.85 4.44 0.00 1.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 76 K 8.29 4.47 0.00 1.59 1.57 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.21 1.34 7.81 77 I 8.69 4.46 1.83 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 1.15 0.46 0.91 0.00 0.00 78 D 8.70 4.90 0.00 2.51 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 79 L 8.98 5.02 0.00 1.43 1.44 0.79 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.96 4.83 2.08 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 0.75 0.00 0.00 0.95 0.00 0.00 81 P 0.00 4.66 0.00 2.06 2.04 0.00 3.71 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.37 0.00 82 E 9.26 4.18 0.00 2.07 2.31 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 2.23 2.27 0.00 83 D 8.00 4.69 0.00 2.75 2.62 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 84 V 8.29 5.38 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 0.63 0.00 0.00 1.02 0.00 0.00 85 L 7.90 4.31 0.00 1.82 1.67 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 *87 V 8.41 3.96 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 0.66 0.00 0.00 0.93 0.00 0.00 88 P 0.00 4.88 0.00 2.10 2.09 0.00 3.52 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.87 0.00 89 A 8.59 4.24 1.16 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 0.00 0.00 90 H 8.91 4.08 0.00 3.20 3.30 0.00 5.65 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.73 4.31 0.00 1.71 1.75 0.00 1.87 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.11 1.44 7.81 92 I 8.41 4.37 1.90 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 1.38 0.65 0.91 0.00 0.00 93 H 9.26 5.31 0.00 3.40 3.46 0.00 5.21 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 9.09 4.98 1.21 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 0.00 0.00 95 I 8.32 4.93 1.62 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.58 0.55 0.00 0.00 96 A 8.74 4.99 1.11 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 0.00 0.00 97 G 9.06 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 98 K 8.66 4.33 0.00 1.57 1.73 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.23 7.81 99 G 8.41 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.25 4.63 0.00 1.86 1.93 0.00 3.16 0.00 0.00 3.43 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.69 0.00 101 F 8.91 5.19 0.00 3.28 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.09 5.67 0.00 1.75 1.77 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.35 1.23 7.81 *104 L 8.20 4.59 0.00 1.88 1.68 1.02 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 9.36 5.13 0.00 2.45 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.52 0.00 0.00 0.00 0.00 0.00 2.14 1.94 0.00 106 I 8.62 4.91 1.79 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.48 0.86 0.00 0.00 107 T 8.76 4.82 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 0.91 0.00 0.00 108 L 8.61 4.59 0.00 1.58 1.60 0.90 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 109 I 8.81 4.75 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.19 0.95 0.00 0.00 110 D 8.29 4.69 0.00 2.66 2.39 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 * Residues marked with a * may have inaccurate shift predictions.