NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3271 8.1593 117.3734 62.6885 69.8927 173.6483 2 P 4.3386 0.0000 0.0000 62.4736 32.0846 174.5712 3 Q 4.3932 8.3229 117.5920 56.7443 31.0739 176.6072 4 N 4.9848 7.4953 114.4576 50.5370 41.8127 174.7814 5 I 3.7384 8.1992 119.0649 64.3575 37.6942 177.6957 6 T 3.8835 7.9002 116.3992 66.5997 68.1084 176.1306 7 D 4.4004 8.4493 120.0866 56.7107 41.3517 178.2613 8 L 4.4162 7.7677 122.1481 57.8876 41.9966 178.2947 9 C 4.3553 8.2426 118.0340 59.3670 43.3586 174.9538 10 A 3.9375 7.5845 120.6301 54.0105 17.7721 178.7380 11 E 3.9433 8.1382 116.7002 57.2648 29.6372 176.0330 12 Y 4.5814 6.9349 116.1544 56.2524 40.0869 175.2372 13 H 4.6811 8.6689 119.6209 56.7112 29.8868 174.7297 14 N 4.3587 8.9641 117.4661 54.8004 35.9732 173.7647 15 T 5.2432 7.7712 106.1830 60.2963 72.1238 172.8067 16 Q 4.6657 8.3453 118.3838 55.2405 32.1440 173.6529 17 I 4.4191 8.2869 122.0916 61.5399 38.6753 175.4004 18 H 4.6328 9.1649 125.2257 54.5026 32.0275 171.9785 19 T 4.4875 8.3408 122.3651 63.4544 68.4444 174.4523 20 L 4.2912 8.6997 125.6511 53.6270 44.4634 176.8248 21 N 4.1581 8.0752 114.6951 53.1963 36.4005 173.1982 22 D 4.6801 7.7730 115.3878 52.8836 44.9983 174.7004 23 K 4.9657 8.4561 123.5619 55.8666 33.5466 176.4884 24 I 3.2765 8.0803 120.7083 61.1361 37.7008 176.1877 25 F 4.7274 8.5028 128.3549 60.6352 39.9078 175.8147 26 S 4.3882 7.7402 112.9077 56.5346 66.6930 172.4047 27 Y 4.5970 7.6820 122.1506 55.9993 41.1877 174.5330 28 T 4.4206 7.9531 122.5893 61.5330 71.9017 172.5457 29 E 4.8529 8.5793 126.4039 54.2670 33.0406 174.6570 30 S 4.7293 8.7368 119.9891 56.3541 65.7621 173.9900 31 L 4.4697 8.5822 125.0254 55.0469 41.0469 176.2778 32 A 4.0077 7.6707 123.9436 52.2941 18.7762 177.8334 33 G 4.1335 8.5481 111.4344 46.8969 0.0000 173.9005 34 K 3.9812 8.7365 121.5070 56.9701 30.6961 176.1015 35 R 4.6993 7.8010 117.5184 55.8224 31.2145 176.9788 36 E 5.0875 8.2901 118.7782 55.1394 29.2816 176.2467 37 M 5.2160 7.9927 120.9120 53.9700 35.6854 173.2589 38 A 5.0375 8.3006 119.0986 50.1831 23.1805 175.3538 39 I 5.0837 8.3971 120.1855 59.5705 41.2390 174.5147 40 I 5.2584 8.9970 120.8257 58.5243 40.5566 174.7315 41 T 5.6596 7.8958 113.1819 59.2590 72.7415 171.9674 42 F 5.2212 8.7007 121.3049 55.8168 43.0083 177.3261 43 K 3.4752 8.3267 121.3531 57.5942 31.3782 176.1686 44 N 4.5464 8.1109 113.1737 53.5000 37.6156 175.8104 45 G 3.9004 8.1274 107.9659 44.8967 0.0000 173.9875 46 A 4.0350 8.1911 122.5790 52.3986 19.4686 176.7368 47 T 4.9078 7.5977 117.5667 61.7272 72.1110 173.3956 48 F 5.3719 9.1659 123.3181 55.8756 44.0189 173.4738 49 Q 5.1802 9.1760 117.8885 54.5650 32.2951 174.1652 50 V 4.6168 8.3501 120.0152 60.9663 33.1036 175.3430 51 E 4.4282 9.0813 127.5911 56.3560 30.0295 177.1545 52 V 3.8026 8.1471 121.1886 62.0962 32.1124 174.0641 53 P 4.3889 0.0000 0.0000 63.2058 31.3715 175.5097 54 G 4.1590 8.5011 113.0430 43.3411 0.0000 172.2859 55 S 4.2617 8.6438 113.1605 60.3719 63.1828 175.3879 56 Q 3.9422 7.8874 119.3097 58.3767 28.6283 175.6523 57 H 4.9777 7.2593 114.4760 54.1196 30.7786 174.3042 58 I 4.3252 7.8088 115.4492 59.3181 39.7191 176.3866 59 D 4.3320 8.7570 119.2148 57.7694 40.3874 178.4050 60 S 4.2213 8.1119 113.7698 61.4415 62.7872 176.2233 61 Q 3.8758 8.1820 124.0158 59.0388 28.2727 179.0167 62 K 3.9551 8.0051 127.2516 60.5421 31.7027 182.6172 63 K 4.1352 8.1391 124.4150 59.7600 31.6622 180.6575 64 A 4.3083 7.5638 121.5447 54.6565 18.3196 179.9293 65 I 3.7020 8.0840 119.1083 64.6625 37.3029 178.4549 66 E 4.0246 8.0542 119.2279 59.2297 29.2669 179.3143 67 R 4.0530 8.0273 118.9371 59.7553 30.1732 178.3345 68 M 4.1133 8.0782 117.8261 58.4787 32.2592 178.3688 69 K 4.1435 8.1236 118.6682 59.3812 32.1840 178.9712 70 D 4.3872 8.0842 118.9774 57.7141 40.7338 179.0164 71 T 3.8794 7.9338 116.0504 66.7433 68.4624 176.7987 72 L 4.1555 8.0955 120.8610 57.5809 41.5851 179.6981 73 R 3.2248 7.7978 118.2806 59.3371 30.1037 178.5046 74 I 3.6447 7.7634 118.2404 63.7857 38.0404 177.6746 75 A 3.9971 8.4659 122.3399 55.1609 18.0922 178.9869 76 Y 4.0051 8.0520 118.0283 60.9145 38.7683 178.0411 77 L 3.8494 7.8321 117.7308 56.2840 41.9925 178.2097 78 T 4.2433 7.6718 107.9384 60.4768 69.3237 174.2369 79 E 3.6536 7.5591 119.7826 57.2772 27.8599 174.4827 80 A 4.1950 7.6147 119.6023 51.6649 19.1387 177.8372 81 K 4.1794 8.6322 123.4042 56.3298 33.8258 175.8299 82 V 3.9434 8.5133 128.4518 62.7047 32.3690 175.4811 83 E 4.1824 9.1724 130.8766 58.0226 29.9102 175.8125 84 K 5.0358 8.2883 116.2384 54.6238 37.4219 174.6099 85 L 5.0603 8.3387 121.8771 53.0702 44.9749 174.6539 86 C 4.9768 8.4929 123.2351 55.5802 41.6107 172.7942 87 V 4.8456 8.2488 118.1896 59.1913 36.2361 174.6981 88 W 5.2972 9.1831 124.5710 56.1763 29.5142 176.5134 89 N 4.3942 9.1055 122.3793 53.0043 37.5636 175.2101 90 N 4.8888 8.1466 116.2229 52.5705 37.7637 174.3938 91 K 4.7088 7.9155 116.6500 55.2570 35.4468 175.5774 92 T 4.5383 8.1917 116.7163 61.0094 70.7424 172.5268 93 P 4.6091 0.0000 0.0000 62.2682 32.9737 175.7080 94 H 4.8109 8.7599 116.7234 56.2256 30.0378 174.3843 95 A 5.3473 8.6381 124.6373 50.2310 21.1083 176.1690 96 I 4.0992 8.9177 124.7576 61.8465 36.8794 176.0000 97 A 4.0586 8.4182 129.8182 53.4110 19.8280 176.4118 98 A 4.4531 7.3015 114.7060 51.5159 22.8243 175.0591 99 I 5.0238 8.0974 118.4976 59.5998 41.3079 174.0912 100 S 4.9437 8.9412 122.8896 56.7968 66.0291 172.7124 101 M 5.1532 8.2124 120.0776 53.8627 35.0952 174.4123 102 A 4.3144 8.6274 125.3306 52.6080 23.2439 176.8838 *103 N 4.5208 8.8037 115.1888 52.9518 37.6795 174.7467 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 T 8.16 4.33 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 2 P 0.00 4.34 0.00 2.42 2.06 0.00 3.76 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 2.00 2.20 0.00 3 Q 8.32 4.39 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 4 N 7.50 4.98 0.00 2.92 2.88 0.00 0.00 5.92 7.51 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 5 I 8.20 3.74 1.83 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 1.57 1.26 0.87 0.00 0.00 6 T 7.90 3.88 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 1.20 0.00 0.00 7 D 8.45 4.40 0.00 2.64 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 8 L 7.77 4.42 0.00 1.90 1.83 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 9 C 8.24 4.36 0.00 3.23 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 10 A 7.58 3.94 1.37 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 0.00 0.00 0.00 11 E 8.14 3.94 0.00 2.01 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 0.00 2.23 2.48 0.00 12 Y 6.93 4.58 0.00 2.87 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 13 H 8.67 4.68 0.00 3.24 3.28 0.00 5.87 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 14 N 8.96 4.36 0.00 3.20 3.04 0.00 0.00 6.51 7.05 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 15 T 7.77 5.24 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 0.90 0.00 0.00 16 Q 8.35 4.67 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.02 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 17 I 8.29 4.42 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 1.19 0.77 0.86 0.00 0.00 18 H 9.16 4.63 0.00 3.27 3.01 0.00 5.78 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.34 4.49 4.17 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 1.21 0.00 0.00 20 L 8.70 4.29 0.00 1.11 1.08 -0.04 0.78 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 21 N 8.08 4.16 0.00 2.77 2.86 0.00 0.00 6.63 8.06 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 22 D 7.77 4.68 0.00 2.95 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 23 K 8.46 4.97 0.00 2.02 1.88 0.00 1.23 0.00 0.00 0.61 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.52 1.51 7.81 24 I 8.08 3.28 2.05 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.57 0.81 0.00 0.00 25 F 8.50 4.73 0.00 3.12 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 26 S 7.74 4.39 0.00 3.71 3.70 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 27 Y 7.68 4.60 0.00 2.30 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 0.00 0.00 0.00 28 T 7.95 4.42 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 1.08 0.00 0.00 29 E 8.58 4.85 0.00 1.72 1.78 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 2.18 2.28 0.00 30 S 8.74 4.73 0.00 3.87 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 31 L 8.58 4.47 0.00 1.75 1.73 0.92 0.50 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 32 A 7.67 4.01 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 33 G 8.55 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.74 3.98 0.00 1.94 1.96 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.53 7.81 35 R 7.80 4.70 0.00 1.72 1.84 0.00 3.30 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 36 E 8.29 5.09 0.00 1.97 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 2.39 2.33 0.00 37 M 7.99 5.22 0.00 2.03 2.26 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.70 0.00 38 A 8.30 5.04 1.05 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 0.00 0.00 39 I 8.40 5.08 1.76 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.90 0.92 0.00 0.00 40 I 9.00 5.26 1.79 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 2.24 1.02 0.00 0.00 41 T 7.90 5.66 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 1.23 0.00 0.00 42 F 8.70 5.22 0.00 3.26 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 43 K 8.33 3.48 0.00 1.80 1.73 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.26 7.81 44 N 8.11 4.55 0.00 2.81 2.97 0.00 0.00 6.32 7.00 0.00 0.00 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 G 8.13 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.19 4.03 1.35 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 0.00 0.00 0.00 47 T 7.60 4.91 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 1.13 0.00 0.00 48 F 9.17 5.37 0.00 3.04 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 49 Q 9.18 5.18 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 50 V 8.35 4.62 2.13 0.00 0.00 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 1.01 0.00 0.00 51 E 9.08 4.43 0.00 2.04 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 2.34 2.39 0.00 52 V 8.15 3.80 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 0.85 0.00 0.00 1.03 0.00 0.00 53 P 0.00 4.39 0.00 2.09 2.03 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 54 G 8.50 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 0.00 0.00 0.00 55 S 8.64 4.26 0.00 3.95 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 56 Q 7.89 3.94 0.00 1.97 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.87 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 57 H 7.26 4.98 0.00 3.17 3.22 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 7.81 4.33 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 1.33 0.77 0.93 0.00 0.00 59 D 8.76 4.33 0.00 2.74 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 60 S 8.11 4.22 0.00 4.11 4.14 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 61 Q 8.18 3.88 0.00 2.34 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 62 K 8.01 3.96 0.00 1.73 1.83 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.34 7.81 63 K 8.14 4.14 0.00 1.75 1.86 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.09 7.81 64 A 7.56 4.31 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.08 3.70 2.01 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.13 0.91 0.00 0.00 66 E 8.05 4.02 0.00 2.11 2.01 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 2.53 2.47 0.00 67 R 8.03 4.05 0.00 1.91 2.11 0.00 3.10 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 68 M 8.08 4.11 0.00 2.36 2.07 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.66 0.00 69 K 8.12 4.14 0.00 2.07 1.95 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.53 7.81 70 D 8.08 4.39 0.00 2.96 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 71 T 7.93 3.88 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 72 L 8.10 4.16 0.00 1.91 1.93 1.03 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.80 3.22 0.00 1.66 1.91 0.00 2.97 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.00 0.00 74 I 7.76 3.64 1.84 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 1.43 1.15 0.98 0.00 0.00 75 A 8.47 4.00 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 76 Y 8.05 4.01 0.00 3.11 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 77 L 7.83 3.85 0.00 1.66 1.61 0.88 0.76 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 78 T 7.67 4.24 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 1.25 0.00 0.00 79 E 7.56 3.65 0.00 2.01 2.01 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 2.05 2.08 0.00 80 A 7.61 4.20 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 81 K 8.63 4.18 0.00 1.98 1.87 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.71 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.50 1.01 7.81 82 V 8.51 3.94 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.12 0.00 0.00 83 E 9.17 4.18 0.00 2.11 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 2.27 2.27 0.00 84 K 8.29 5.04 0.00 1.66 1.53 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.35 7.81 85 L 8.34 5.06 0.00 1.12 1.20 -0.01 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.49 4.98 0.00 2.87 2.78 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 87 V 8.25 4.85 2.28 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 0.67 0.00 0.00 1.11 0.00 0.00 88 W 9.18 5.30 0.00 3.41 3.01 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 89 N 9.11 4.39 0.00 2.64 2.89 0.00 0.00 6.22 8.04 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 90 N 8.15 4.89 0.00 2.88 2.99 0.00 0.00 5.91 7.13 0.00 0.00 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 K 7.92 4.71 0.00 1.99 1.75 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.42 7.81 92 T 8.19 4.54 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 1.21 0.00 0.00 93 P 0.00 4.61 0.00 2.04 1.98 0.00 3.52 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 2.08 0.00 94 H 8.76 4.81 0.00 3.35 3.48 0.00 5.61 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 95 A 8.64 5.35 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 0.00 0.00 0.00 0.00 0.00 96 I 8.92 4.10 1.95 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.67 0.93 0.00 0.00 97 A 8.42 4.06 -0.34 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 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.30 4.45 1.08 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 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.10 5.02 1.84 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 1.40 0.99 0.91 0.00 0.00 100 S 8.94 4.94 0.00 3.93 3.89 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 0.00 101 M 8.21 5.15 0.00 1.88 1.97 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 2.50 2.53 0.00 102 A 8.63 4.31 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 *103 N 8.80 4.52 0.00 2.92 2.68 0.00 0.00 6.53 7.56 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 * Residues marked with a * may have inaccurate shift predictions.