NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5993 8.1933 115.5809 58.3121 63.9583 172.3322 3 V 4.8653 8.4907 119.2552 59.5334 35.7846 173.5076 4 T 4.6538 10.4852 121.8377 62.0491 71.8827 172.7045 5 Q 5.1275 8.7261 125.4749 53.3909 30.0051 174.4767 6 P 4.4003 0.0000 0.0000 64.6982 31.5656 176.4457 7 D 4.8597 7.3146 116.0454 52.2311 42.4713 176.0018 8 A 4.2604 8.7500 126.4799 54.4907 19.4758 177.2354 9 R 5.1155 7.8616 111.4817 54.5687 34.1740 175.4661 10 V 4.5403 8.9782 121.2688 61.7247 35.4293 173.7692 11 T 5.1518 8.5682 123.0741 61.9521 71.5262 173.6698 12 V 4.5817 8.7561 118.2003 59.5132 36.6801 174.8258 13 S 4.6842 8.5249 119.3134 57.7104 64.0184 173.4802 14 E 3.9808 8.8889 125.1155 58.3021 29.7056 176.2535 15 G 3.9351 9.1863 113.8075 45.2766 0.0000 173.4966 16 A 4.3617 8.0378 121.6787 51.3244 20.1958 176.9068 17 S 5.0631 8.2816 114.4972 57.4268 64.3821 174.0559 18 L 4.7591 8.8734 123.8072 53.3871 45.5093 175.2286 19 Q 4.7571 8.4442 125.4479 54.6673 32.0261 173.4958 20 L 4.6830 8.2054 126.7348 52.9958 43.8844 176.3820 21 R 4.5085 8.6309 123.0951 56.1341 31.6585 176.7633 22 C 5.2231 9.1391 121.3875 55.5400 45.5319 172.5674 23 K 5.5018 9.6851 126.1367 54.7432 35.2602 174.7285 24 Y 5.3374 8.7672 121.1944 55.1985 41.5167 174.6018 25 S 4.7043 8.7956 116.7350 57.2826 64.9126 173.2448 26 Y 4.6412 8.4735 125.2190 56.7100 41.2913 174.2406 27 S 4.0863 8.6149 124.0075 61.6426 63.1044 174.9073 28 A 4.1403 6.7692 120.0818 51.6918 18.7714 176.4136 29 T 3.7904 8.3656 115.3768 63.3505 68.4680 172.6328 30 P 4.0144 0.0000 0.0000 62.3578 32.2022 175.3825 31 Y 4.2760 7.8605 120.0992 56.0915 39.9760 174.0730 32 L 4.8928 7.4459 123.0714 53.1163 44.1367 175.8887 33 F 5.6444 9.6040 119.9507 55.9068 44.4843 173.5920 34 W 5.5824 9.3834 119.2903 55.5243 32.4801 174.2614 35 Y 5.4042 10.0533 122.9723 56.1208 40.9765 175.0690 36 V 4.3394 8.8144 122.2430 59.7688 34.7824 174.4917 37 Q 4.6398 8.6372 124.5739 54.4409 31.3187 173.7108 38 Y 4.6266 8.3240 124.6553 56.6525 39.6497 173.4079 39 P 4.0178 0.0000 0.0000 63.8572 31.8556 176.0357 40 R 3.9154 8.8041 120.6854 57.1877 27.5990 175.6890 41 Q 4.5966 7.7380 114.3884 54.0446 32.9758 175.0129 42 G 3.9779 8.3208 106.7156 44.9245 0.0000 171.7909 43 P 4.8099 0.0000 0.0000 62.5265 32.1397 176.1926 44 Q 4.8880 9.2265 122.6146 53.6469 32.1630 174.8562 45 L 3.4208 8.6467 125.5313 55.4934 42.1262 175.3831 46 L 4.6142 9.0843 128.5849 56.0590 43.7513 175.7368 47 L 4.6215 7.6071 116.4591 55.0689 43.6972 172.9172 48 K 5.1027 8.3724 117.3516 55.7653 35.9142 174.7225 49 Y 4.2833 8.3706 122.0133 56.5425 41.3042 173.9076 50 Y 4.3760 7.7889 122.8064 58.5560 39.9670 175.9205 51 S 4.7421 6.6347 109.9645 58.8619 66.5618 175.3994 52 G 3.9462 8.6134 107.0517 44.9854 0.0000 173.8691 53 D 4.3954 8.9672 123.6890 54.5003 41.3343 175.0674 54 P 4.4309 0.0000 0.0000 64.2877 32.6638 175.5348 55 V 4.6994 8.0460 121.2802 61.5349 32.8979 175.0359 56 V 4.5632 8.7930 121.9307 59.9631 34.0952 175.1552 57 Q 4.9128 8.7216 122.4778 54.6356 30.9165 175.0708 58 G 4.3632 9.0353 109.1799 44.5317 0.0000 172.3171 59 V 3.9951 8.1118 118.5693 63.0331 32.2778 175.3917 60 N 4.1351 9.4428 117.2155 54.9395 35.9260 174.3807 61 G 3.9216 8.0910 99.0597 46.7956 0.0000 173.4148 62 F 5.0507 7.6539 116.6638 55.5809 42.0706 175.1955 63 E 5.2130 8.8798 117.9889 55.5903 33.2505 173.6369 64 A 5.2384 8.7395 121.1703 49.8007 23.5109 174.5781 65 E 5.0499 8.3884 119.2519 54.3442 32.7999 174.3611 66 F 5.0989 9.6068 130.5648 57.8907 40.5509 175.1196 67 S 3.9548 8.3990 120.1730 55.9443 63.7724 174.0186 68 K 3.7422 8.1383 127.6949 58.5315 32.0658 178.0387 69 S 4.1302 7.8253 111.5182 61.6364 62.7523 174.9812 70 N 4.3010 8.0438 119.0512 53.1324 39.4021 174.6131 71 S 3.2872 8.0663 114.0643 60.2069 60.9385 170.9008 72 S 5.3619 7.4238 112.4647 56.5009 67.1901 174.5511 73 F 6.0769 8.5328 120.3054 58.2642 39.1307 173.7365 74 H 4.8887 8.1726 119.0488 55.9637 30.6654 176.1101 75 L 4.3952 8.6395 124.8052 54.1220 44.0640 175.1019 76 R 4.9957 8.5316 122.7776 55.1150 34.2912 173.5909 77 K 4.6942 8.6614 125.3562 54.6759 35.2457 177.1019 78 A 3.9577 8.6164 130.1191 54.6990 18.6975 176.3731 79 S 4.7184 7.3717 109.6870 57.0193 64.5084 174.3716 80 V 4.1015 8.7350 121.7030 61.3468 33.3340 175.0288 81 H 5.2126 9.2238 119.1215 53.8764 33.1954 174.8729 82 R 3.9756 8.7293 117.8695 59.8321 29.9760 179.6655 83 S 4.1843 8.2671 112.3750 61.7982 62.8144 175.1815 84 D 4.9531 8.0527 117.7770 55.6105 40.9293 176.6480 85 S 4.8004 8.6025 116.5489 58.5562 63.4131 173.8011 86 A 4.2564 8.1653 124.8572 52.1867 23.0938 173.8891 87 V 4.6061 7.2959 117.0221 61.7269 33.6767 174.5830 88 Y 5.0379 9.2606 126.0613 56.3687 40.2719 174.5865 89 F 5.2623 10.1240 123.9464 55.8864 42.3178 173.5925 90 C 4.3627 8.6738 122.2752 54.7136 41.2926 172.0902 91 A 5.1613 8.8120 126.2337 50.3926 22.8328 175.2280 92 V 4.7185 8.1115 119.8130 59.4655 35.1016 174.9577 93 S 4.2777 9.0875 119.0152 57.9071 62.7215 171.9491 *99 D 4.9329 8.7819 128.7034 52.9280 41.6558 175.2401 100 P 4.4522 0.0000 0.0000 61.8449 31.3180 174.3939 101 P 4.6205 0.0000 0.0000 62.1662 31.7757 173.8458 102 P 4.6804 0.0000 0.0000 62.9711 31.6460 175.8640 103 L 4.3793 7.9894 118.8020 54.4810 42.6704 175.8056 104 L 4.5350 8.1509 123.1315 53.4897 44.6882 175.3721 105 T 4.4927 8.3647 122.9902 61.9478 70.3396 174.1916 106 F 4.5754 8.8091 125.3771 56.7127 40.4989 175.7726 107 G 4.2642 8.7993 109.2665 45.0698 0.0000 174.8257 108 S 4.1824 8.8309 113.6076 59.1707 63.2722 175.6517 109 G 3.5966 8.2330 105.4287 45.7668 0.0000 172.8394 110 T 4.7955 7.8687 114.4527 61.6033 73.0780 173.0766 111 K 4.6855 9.0899 128.3213 55.3357 33.9619 175.1066 112 V 4.8352 9.1068 128.3567 61.3279 33.7900 174.2421 113 I 4.8713 8.8318 129.0710 59.5369 39.7616 174.6827 114 V 5.3673 8.5439 127.4862 59.2095 33.3510 176.0842 115 L 4.3245 8.4286 122.4917 54.9860 41.3568 176.6021 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 S 8.19 4.60 0.00 4.01 3.91 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 3 V 8.49 4.87 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 0.77 0.00 0.00 1.01 0.00 0.00 4 T 10.49 4.65 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 5 Q 8.73 5.13 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 6 P 0.00 4.40 0.00 2.20 2.23 0.00 3.99 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 7 D 7.31 4.86 0.00 2.67 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 8 A 8.75 4.26 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.86 5.12 0.00 1.66 1.80 0.00 3.19 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 10 V 8.98 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 1.00 0.00 0.00 0.93 0.00 0.00 11 T 8.57 5.15 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 1.25 0.00 0.00 12 V 8.76 4.58 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 0.84 0.00 0.00 0.91 0.00 0.00 13 S 8.52 4.68 0.00 3.76 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 14 E 8.89 3.98 0.00 1.93 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 2.33 2.53 0.00 15 G 9.19 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 16 A 8.04 4.36 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 17 S 8.28 5.06 0.00 3.70 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 18 L 8.87 4.76 0.00 1.55 1.29 0.81 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.44 4.76 0.00 1.95 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.49 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 20 L 8.21 4.68 0.00 1.17 1.58 0.50 0.57 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 21 R 8.63 4.51 0.00 1.70 1.80 0.00 3.10 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.52 0.00 22 C 9.14 5.22 0.00 3.26 3.48 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 23 K 9.69 5.50 0.00 1.69 1.67 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.54 7.81 24 Y 8.77 5.34 0.00 3.01 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 25 S 8.80 4.70 0.00 3.91 3.91 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 26 Y 8.47 4.64 0.00 3.04 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 27 S 8.61 4.09 0.00 3.67 3.81 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 28 A 6.77 4.14 1.10 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 0.00 0.00 29 T 8.37 3.79 4.12 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 0.56 0.00 0.00 30 P 0.00 4.01 0.00 1.57 1.75 0.00 3.57 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.08 0.00 31 Y 7.86 4.28 0.00 2.95 2.82 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 0.00 0.00 0.00 32 L 7.45 4.89 0.00 0.27 0.72 0.38 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 33 F 9.60 5.64 0.00 3.04 2.94 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 34 W 9.38 5.58 0.00 3.31 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 35 Y 10.05 5.40 0.00 3.20 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.81 4.34 1.60 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 0.75 0.00 0.00 -0.40 0.00 0.00 37 Q 8.64 4.64 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.03 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 38 Y 8.32 4.63 0.00 2.98 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 39 P 0.00 4.02 0.00 2.10 2.05 0.00 4.01 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 40 R 8.80 3.92 0.00 1.97 2.02 0.00 3.16 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 41 Q 7.74 4.60 0.00 2.35 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 42 G 8.32 3.98 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 0.00 0.00 0.00 43 P 0.00 4.81 0.00 1.76 1.88 0.00 3.46 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.78 0.00 44 Q 9.23 4.89 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.00 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 45 L 8.65 3.42 0.00 1.36 1.49 0.65 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 46 L 9.08 4.61 0.00 1.92 1.62 0.81 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.61 4.62 0.00 1.87 1.79 1.18 0.24 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 48 K 8.37 5.10 0.00 1.08 1.80 0.00 1.09 0.00 0.00 1.61 0.00 0.00 2.51 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.07 0.67 7.81 49 Y 8.37 4.28 0.00 3.21 2.33 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 50 Y 7.79 4.38 0.00 2.72 2.65 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 0.00 0.00 0.00 0.00 51 S 6.63 4.74 0.00 3.91 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 52 G 8.61 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 53 D 8.97 4.40 0.00 2.71 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 54 P 0.00 4.43 0.00 2.30 2.37 0.00 3.77 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 2.11 2.01 0.00 55 V 8.05 4.70 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 0.81 0.00 0.00 0.95 0.00 0.00 56 V 8.79 4.56 2.20 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 1.01 0.00 0.00 1.24 0.00 0.00 57 Q 8.72 4.91 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 58 G 9.04 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 59 V 8.11 4.00 2.20 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 1.03 0.00 0.00 0.99 0.00 0.00 60 N 9.44 4.14 0.00 3.26 3.11 0.00 0.00 6.95 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 61 G 8.09 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 62 F 7.65 5.05 0.00 3.16 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 63 E 8.88 5.21 0.00 2.11 2.18 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 2.13 2.20 0.00 64 A 8.74 5.24 0.67 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 0.00 0.00 65 E 8.39 5.05 0.00 2.01 1.75 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 2.24 2.27 0.00 66 F 9.61 5.10 0.00 2.49 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 67 S 8.40 3.95 0.00 3.72 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.14 3.74 0.00 1.81 1.76 0.00 1.83 0.00 0.00 2.52 0.00 0.00 3.13 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.46 1.46 7.81 69 S 7.83 4.13 0.00 3.96 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 70 N 8.04 4.30 0.00 2.63 2.77 0.00 0.00 7.45 7.63 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 71 S 8.07 3.29 0.00 3.77 3.40 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 72 S 7.42 5.36 0.00 3.74 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 73 F 8.53 6.08 0.00 3.12 3.20 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 74 H 8.17 4.89 0.00 3.15 3.17 0.00 5.68 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.64 4.40 0.00 0.27 0.42 0.31 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.53 5.00 0.00 1.75 1.58 0.00 3.03 0.00 0.00 3.02 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.59 0.00 77 K 8.66 4.69 0.00 0.93 1.17 0.00 0.61 0.00 0.00 1.15 0.00 0.00 2.76 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.93 1.05 7.81 78 A 8.62 3.96 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.37 4.72 0.00 3.74 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 80 V 8.73 4.10 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 0.49 0.00 0.00 0.93 0.00 0.00 81 H 9.22 5.21 0.00 3.04 3.15 0.00 5.63 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.73 3.98 0.00 1.85 2.03 0.00 3.16 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 83 S 8.27 4.18 0.00 3.93 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 84 D 8.05 4.95 0.00 2.93 3.07 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 85 S 8.60 4.80 0.00 3.98 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 86 A 8.17 4.26 0.98 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 0.00 0.00 87 V 7.30 4.61 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 0.35 0.00 0.00 0.89 0.00 0.00 88 Y 9.26 5.04 0.00 3.00 3.07 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 89 F 10.12 5.26 0.00 3.17 3.24 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 90 C 8.67 4.36 0.00 1.75 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 91 A 8.81 5.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.11 4.72 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 0.53 0.00 0.00 0.40 0.00 0.00 93 S 9.09 4.28 0.00 4.36 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 *99 D 8.78 4.93 0.00 2.68 2.30 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.45 0.00 2.30 2.27 0.00 3.81 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 2.10 2.03 0.00 101 P 0.00 4.62 0.00 2.04 1.94 0.00 3.78 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 102 P 0.00 4.68 0.00 2.12 2.07 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 103 L 7.99 4.38 0.00 1.69 1.60 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.15 4.54 0.00 1.36 1.07 0.28 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.36 4.49 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 1.22 0.00 0.00 106 F 8.81 4.58 0.00 2.79 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 0.00 107 G 8.80 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 0.00 0.00 0.00 0.00 108 S 8.83 4.18 0.00 4.07 4.09 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 0.00 0.00 0.00 0.00 109 G 8.23 3.60 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 0.00 0.00 0.00 110 T 7.87 4.80 4.35 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 111 K 9.09 4.69 0.00 1.82 1.69 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.39 7.81 112 V 9.11 4.84 2.34 0.00 0.00 0.00 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 0.93 0.00 0.00 113 I 8.83 4.87 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.68 0.94 0.00 0.00 114 V 8.54 5.37 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 0.92 0.00 0.00 1.01 0.00 0.00 115 L 8.43 4.32 0.00 1.55 1.62 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.