NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.4042 0.0000 0.0000 62.4977 34.0587 178.0414 6 L 3.7952 7.9061 118.9201 57.4602 42.1250 177.2459 7 L 3.9674 8.8486 121.1339 58.4802 42.3641 178.3160 8 E 4.0291 8.1248 117.8501 59.2174 29.4181 179.3833 9 R 3.9413 7.8638 118.0734 59.2754 30.2272 178.5875 10 A 4.0556 8.1214 120.5354 55.6511 18.2720 180.0170 11 R 3.8940 7.9711 115.8689 59.1651 30.2036 178.9906 12 R 3.8201 8.1029 118.6314 59.5068 29.7808 178.2374 13 F 4.5301 8.3194 118.8409 61.5714 39.4581 176.5677 14 L 4.1099 8.2594 119.8748 58.2089 41.6037 178.9735 15 S 4.2217 7.9980 114.1251 60.9346 62.8865 176.0342 16 A 4.2936 7.8188 122.6212 54.1433 19.2557 178.3812 17 L 4.3632 7.4722 118.5035 54.1831 39.5126 177.8291 18 R 4.0428 8.1891 120.7827 58.1827 30.6106 177.3807 19 H 4.7410 7.5178 112.1707 56.6543 29.7162 176.2088 20 C 4.2620 7.6594 117.1159 61.5804 28.5501 175.0148 21 Q 3.9086 8.2266 121.1887 59.1176 28.6290 178.7238 22 V 3.6415 7.7980 116.0916 65.6433 31.1957 176.5360 23 L 4.1369 8.3316 119.0195 54.7752 41.8032 177.5435 24 G 3.8500 8.0072 106.4787 46.0841 0.0000 174.0699 25 L 4.2839 7.1434 116.1412 54.8971 42.2915 176.9171 26 T 4.7271 8.2420 111.4481 59.8082 72.7194 172.8696 27 V 4.0991 8.3114 123.2123 62.6250 31.6297 175.0829 28 E 4.4462 9.3798 129.8118 58.4865 30.6494 175.6989 29 A 4.6817 7.7030 117.9006 51.5155 22.9864 175.8806 30 A 4.7256 8.2010 119.9980 51.9063 21.0886 175.1678 31 D 4.9848 8.7025 127.5329 53.2841 41.9325 175.8282 32 E 4.1246 9.0581 115.6493 60.0026 29.9393 175.0224 33 K 4.3941 8.3222 119.2248 55.0757 33.0445 181.0113 34 G 3.9918 7.2948 104.6549 46.4173 0.0000 170.6095 35 L 5.0971 7.3613 123.0005 53.7881 46.2124 176.2046 36 T 5.1567 8.9357 122.4526 62.1277 71.4066 173.8012 37 L 4.9856 8.8348 126.9186 53.3837 44.9576 175.4035 38 R 4.5748 8.8050 120.0579 54.4482 33.6147 173.5153 39 L 4.7014 8.9874 129.4442 52.5886 43.8326 173.7746 40 P 4.9111 0.0000 0.0000 62.3466 32.5920 177.0755 41 Y 4.2670 8.8069 120.4233 59.9217 37.7420 178.3001 42 S 4.1023 7.3995 114.5310 60.2330 63.1818 175.0702 43 Q 4.4867 7.7871 119.8063 55.6673 29.3179 175.0847 44 A 4.8768 7.8560 122.3847 51.5988 20.4072 175.7737 45 I 4.4769 8.1136 119.9127 62.8088 38.2048 175.7080 46 I 4.1760 8.5630 127.8186 60.7320 38.3645 176.1795 47 G 3.8940 8.8427 114.1101 44.6466 0.0000 172.5492 48 N 4.4929 8.6347 119.3981 52.4243 38.9736 174.3470 49 P 4.2839 0.0000 0.0000 65.5158 31.5324 177.8102 50 E 4.2356 8.1581 115.0463 57.8592 29.6000 177.3824 51 S 4.3946 8.4172 116.1517 58.3257 63.7993 175.3878 52 G 4.2522 7.9012 107.9605 46.1026 0.0000 172.8182 53 V 4.0838 7.1369 120.4389 62.0631 32.4440 175.3792 54 V 4.4254 8.3037 128.4280 62.6799 32.6450 174.8010 55 H 4.4068 9.6660 128.6869 55.7627 30.5511 176.3176 56 G 3.6338 8.9206 112.5302 47.9690 0.0000 175.9481 57 G 3.5596 7.1541 107.0579 47.3847 0.0000 175.5241 58 A 4.0704 7.8093 122.6324 55.1744 18.1774 179.8336 59 I 3.7319 7.6807 116.9202 64.7198 37.3124 178.3428 60 T 4.1181 7.9495 115.9574 66.8554 68.5705 176.4957 61 T 4.0922 8.0287 117.6702 66.4968 68.4676 176.4507 62 L 3.8492 7.9116 118.5392 56.4798 41.8801 177.7041 *64 D 4.5963 7.9310 117.7754 54.5929 43.0704 177.5987 65 T 3.7840 8.2767 116.0239 66.8681 68.3183 176.8148 66 T 3.6855 7.9725 117.6086 66.6474 68.2355 176.5133 67 C 4.1232 7.9490 116.9645 62.9055 28.4008 175.9982 68 G 2.8832 7.8143 105.6670 47.0546 0.0000 174.8546 69 I 3.3441 7.1282 120.8435 61.9328 37.8360 177.7578 70 S 4.0694 7.6728 115.3442 60.6373 62.4527 176.0234 71 T 3.9979 7.4625 112.9562 63.9020 68.3692 176.3886 72 V 3.7204 7.9554 115.8168 64.1477 31.3447 177.8812 73 C 4.1516 7.7449 115.4980 61.7117 27.9868 174.5575 74 V 4.3565 7.3906 110.8344 60.5493 33.2289 175.3737 75 L 4.5430 7.2060 120.7224 52.3703 42.7594 174.5768 76 P 4.3385 0.0000 0.0000 65.3867 31.2151 175.6164 77 D 4.9922 7.5602 115.8533 50.5182 44.3965 174.6313 78 F 4.1577 8.6475 123.7207 58.8553 39.6015 173.9871 79 E 4.0318 7.4303 125.7066 54.9866 32.2073 174.1919 80 I 3.5071 7.5169 126.3838 59.7038 37.5982 175.0669 81 C 4.4497 8.3628 124.2774 57.4627 28.7516 172.3347 82 P 4.4532 0.0000 0.0000 62.8636 31.6150 175.8441 83 T 3.8310 8.4096 118.1335 63.6934 69.1066 174.3600 84 L 4.4752 8.1398 126.7294 56.4955 43.0828 176.6482 85 D 4.6615 7.1327 115.3459 52.3099 42.5205 174.4142 86 L 5.2285 8.2946 118.9494 53.1855 45.9565 175.9926 87 R 4.6558 9.5822 122.2334 54.4781 33.4393 174.4393 88 I 5.0037 8.5301 124.3771 59.5219 40.2388 174.7153 89 D 4.9572 9.2347 126.6738 52.8354 44.3872 175.4308 90 Y 4.6832 8.7126 121.0398 56.9263 40.1994 173.9666 *92 H 4.7110 8.3987 115.5190 54.8308 29.7912 171.5172 93 P 4.4284 0.0000 0.0000 62.2094 31.8006 176.5492 94 A 4.3952 8.2393 123.1108 51.8910 19.0742 177.6572 95 E 4.1830 9.0669 121.4874 55.2854 29.1800 175.8046 96 P 4.3475 0.0000 0.0000 64.1212 32.0703 175.8377 97 H 2.7909 8.0658 114.4350 56.0594 26.3979 175.0033 98 K 4.6747 6.7344 117.4775 54.4443 35.6744 176.3905 99 D 4.6917 9.1809 124.1570 54.9870 41.8410 175.8071 100 V 4.4406 8.3526 121.0507 61.4927 33.9271 174.0524 101 Y 4.7482 8.7932 125.8560 56.2316 40.4287 174.7424 102 G 4.4324 9.0872 110.3050 44.3364 0.0000 171.6662 103 F 5.4430 8.6422 126.4352 56.3926 42.7705 173.7804 104 A 4.8652 7.3131 125.1494 50.4266 23.1780 174.9422 105 E 4.8535 8.8817 118.3668 54.4023 33.2730 174.7588 106 C 4.9189 8.8631 121.1793 60.2065 28.3729 172.8776 107 Y 4.8928 9.0120 120.9644 56.8611 39.6479 175.7346 108 R 4.6823 7.2786 120.0783 54.9252 34.0054 173.5319 109 V 4.9733 8.4430 124.9475 61.5423 34.0896 174.6872 110 T 4.6553 8.9023 118.3067 58.8106 71.2635 172.4139 111 P 4.3724 0.0000 0.0000 65.5774 31.1835 177.0396 112 N 5.0869 8.0603 110.4472 52.4443 40.7867 174.6409 113 V 4.5800 8.0316 118.8244 61.0312 35.4195 174.0718 114 I 4.9321 8.5551 127.6423 59.5290 40.3534 174.2547 115 F 5.2306 9.4014 126.3420 55.8517 41.1112 174.9282 116 T 5.3935 9.3103 114.0061 59.8523 72.2140 173.0499 117 R 5.2455 9.0823 119.8790 55.0747 33.2565 174.6465 118 G 4.9722 9.4472 107.0004 47.0029 0.0000 171.2143 119 F 5.5801 8.2105 112.7146 55.8405 41.4706 172.8698 120 A 5.5570 8.9316 121.3477 50.7696 22.0090 174.9979 121 Y 4.8691 8.6164 117.3786 57.0585 41.6064 173.6287 122 Q 4.6932 9.1951 114.9900 57.4201 31.1744 176.8996 123 D 4.4741 7.7130 121.3345 55.4495 41.6952 176.9593 124 D 4.8332 7.8650 118.0517 51.4702 41.9817 178.0367 125 P 3.6684 0.0000 0.0000 63.7248 31.1518 178.0370 126 G 3.5502 8.0402 108.9162 47.7080 0.0000 174.9056 127 Q 4.4465 7.4955 126.0052 51.9970 28.4981 173.1796 128 P 4.6001 0.0000 0.0000 63.2522 32.0957 176.9862 129 I 3.6971 8.2421 121.5078 64.6621 37.6186 176.0968 130 A 4.5882 7.6703 120.3335 51.1583 22.5848 174.7875 131 H 5.5344 9.1315 117.1146 53.9853 32.1908 173.9879 132 V 5.0642 8.9206 120.7882 60.1730 34.8344 174.4419 133 V 5.0295 9.1537 123.6249 61.3872 34.8922 174.3482 134 G 4.5521 9.3298 112.2624 44.9803 0.0000 171.4326 135 A 5.0464 8.3237 122.8420 49.6622 22.1932 174.7785 136 F 5.0602 8.9966 121.7922 55.2167 43.7243 175.5188 *138 R 4.0409 8.6741 120.7087 57.4989 29.5789 175.5398 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 5 P 0.00 4.40 0.00 2.21 2.13 0.00 3.59 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 2.02 2.09 0.00 6 L 7.91 3.80 0.00 1.85 1.69 0.94 0.25 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 7 L 8.85 3.97 0.00 1.81 1.75 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.12 4.03 0.00 2.18 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 2.40 2.51 0.00 9 R 7.86 3.94 0.00 2.04 2.13 0.00 3.33 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.72 0.00 10 A 8.12 4.06 1.39 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 0.00 0.00 11 R 7.97 3.89 0.00 2.07 1.99 0.00 3.26 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 12 R 8.10 3.82 0.00 1.84 2.03 0.00 2.67 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.38 0.00 13 F 8.32 4.53 0.00 3.54 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 14 L 8.26 4.11 0.00 1.86 1.83 0.86 0.87 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 15 S 8.00 4.22 0.00 4.05 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 16 A 7.82 4.29 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.47 4.36 0.00 1.97 1.55 1.29 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.19 4.04 0.00 1.84 2.02 0.00 3.37 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.59 0.00 19 H 7.52 4.74 0.00 3.25 3.43 0.00 5.56 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 C 7.66 4.26 0.00 2.95 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 21 Q 8.23 3.91 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.88 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 22 V 7.80 3.64 2.09 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 0.85 0.00 0.00 0.99 0.00 0.00 23 L 8.33 4.14 0.00 1.82 1.66 0.93 1.01 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 24 G 8.01 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 25 L 7.14 4.28 0.00 1.63 1.57 0.87 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.24 4.73 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 27 V 8.31 4.10 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 0.90 0.00 0.00 28 E 9.38 4.45 0.00 2.12 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 2.56 2.43 0.00 29 A 7.70 4.68 1.27 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 30 A 8.20 4.73 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 31 D 8.70 4.98 0.00 2.77 2.69 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 32 E 9.06 4.12 0.00 2.01 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 2.23 1.87 0.00 33 K 8.32 4.39 0.00 1.77 1.75 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.00 7.81 34 G 7.29 3.99 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 0.00 0.00 0.00 35 L 7.36 5.10 0.00 1.59 1.21 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.94 5.16 4.39 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 1.47 0.00 0.00 37 L 8.83 4.99 0.00 1.55 1.51 0.83 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.81 4.57 0.00 1.62 1.58 0.00 3.07 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.64 0.00 39 L 8.99 4.70 0.00 1.67 1.56 0.90 0.22 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 40 P 0.00 4.91 0.00 2.13 2.06 0.00 3.84 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 1.99 1.95 0.00 41 Y 8.81 4.27 0.00 3.17 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 42 S 7.40 4.10 0.00 3.84 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 43 Q 7.79 4.49 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.45 0.00 0.00 0.00 0.00 0.00 2.24 2.52 0.00 44 A 7.86 4.88 1.27 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 45 I 8.11 4.48 1.89 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.90 0.98 0.00 0.00 46 I 8.56 4.18 1.89 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 1.20 0.83 0.91 0.00 0.00 47 G 8.84 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 0.00 0.00 0.00 48 N 8.63 4.49 0.00 2.78 3.04 0.00 0.00 6.61 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 49 P 0.00 4.28 0.00 2.24 2.33 0.00 3.70 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 50 E 8.16 4.24 0.00 2.14 2.15 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 2.31 2.30 0.00 51 S 8.42 4.39 0.00 4.11 3.93 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 0.00 0.00 0.00 52 G 7.90 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 0.00 0.00 0.00 0.00 53 V 7.14 4.08 2.23 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 0.88 0.00 0.00 0.90 0.00 0.00 54 V 8.30 4.43 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 0.83 0.00 0.00 0.97 0.00 0.00 55 H 9.67 4.41 0.00 3.25 3.23 0.00 5.67 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 56 G 8.92 3.63 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 0.00 0.00 0.00 57 G 7.15 3.56 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 0.00 0.00 0.00 58 A 7.81 4.07 1.42 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 0.00 0.00 59 I 7.68 3.73 2.22 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 1.69 0.79 1.03 0.00 0.00 60 T 7.95 4.12 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 1.28 0.00 0.00 61 T 8.03 4.09 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 1.23 0.00 0.00 62 L 7.91 3.85 0.00 1.75 1.75 0.84 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 *64 D 7.93 4.60 0.00 2.94 2.86 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 0.00 0.00 0.00 0.00 65 T 8.28 3.78 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 1.07 0.00 0.00 66 T 7.97 3.69 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 1.08 0.00 0.00 67 C 7.95 4.12 0.00 3.24 3.31 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 68 G 7.81 2.88 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 69 I 7.13 3.34 1.49 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.10 0.56 0.00 0.00 70 S 7.67 4.07 0.00 3.88 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 71 T 7.46 4.00 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 0.92 0.00 0.00 72 V 7.96 3.72 2.15 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 1.04 0.00 0.00 0.95 0.00 0.00 73 C 7.74 4.15 0.00 3.02 3.13 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 74 V 7.39 4.36 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 0.72 0.00 0.00 0.91 0.00 0.00 75 L 7.21 4.54 0.00 1.57 1.56 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.34 0.00 2.18 2.19 0.00 3.69 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 1.99 1.96 0.00 77 D 7.56 4.99 0.00 2.61 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 78 F 8.65 4.16 0.00 2.94 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 79 E 7.43 4.03 0.00 1.74 1.53 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 1.98 2.15 0.00 80 I 7.52 3.51 1.52 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.29 -0.36 0.78 0.00 0.00 81 C 8.36 4.45 0.00 2.94 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 82 P 0.00 4.45 0.00 2.18 2.00 0.00 3.59 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 83 T 8.41 3.83 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 0.94 0.00 0.00 84 L 8.14 4.48 0.00 1.37 1.57 0.76 1.21 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 85 D 7.13 4.66 0.00 2.70 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 86 L 8.29 5.23 0.00 1.44 1.54 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 87 R 9.58 4.66 0.00 1.68 1.82 0.00 3.25 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 88 I 8.53 5.00 1.91 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 1.33 0.63 0.84 0.00 0.00 89 D 9.23 4.96 0.00 2.53 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 90 Y 8.71 4.68 0.00 2.86 2.93 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 0.00 0.00 0.00 *92 H 8.40 4.71 0.00 3.16 3.42 0.00 5.73 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.43 0.00 2.10 2.04 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 94 A 8.24 4.40 1.31 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 95 E 9.07 4.18 0.00 2.01 1.88 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 2.35 2.28 0.00 96 P 0.00 4.35 0.00 1.96 2.04 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.94 0.00 97 H 8.07 2.79 0.00 3.17 3.24 0.00 5.60 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 6.73 4.67 0.00 1.68 1.68 0.00 1.74 0.00 0.00 1.89 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.48 7.81 99 D 9.18 4.69 0.00 2.50 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 0.00 0.00 0.00 0.00 100 V 8.35 4.44 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 0.99 0.00 0.00 0.94 0.00 0.00 101 Y 8.79 4.75 0.00 1.62 2.48 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 0.00 102 G 9.09 4.43 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 0.00 103 F 8.64 5.44 0.00 2.96 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 0.00 0.00 0.00 104 A 7.31 4.87 1.02 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 0.00 0.00 105 E 8.88 4.85 0.00 2.16 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 2.51 2.44 0.00 106 C 8.86 4.92 0.00 2.89 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 0.00 107 Y 9.01 4.89 0.00 2.86 3.09 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 0.00 108 R 7.28 4.68 0.00 1.64 1.43 0.00 2.36 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 109 V 8.44 4.97 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 0.91 0.00 0.00 0.94 0.00 0.00 110 T 8.90 4.66 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 1.36 0.00 0.00 111 P 0.00 4.37 0.00 2.07 2.18 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 112 N 8.06 5.09 0.00 2.54 2.75 0.00 0.00 6.58 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.03 4.58 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 0.12 0.00 0.00 0.84 0.00 0.00 114 I 8.56 4.93 1.87 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 1.21 0.67 0.89 0.00 0.00 115 F 9.40 5.23 0.00 1.84 2.25 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 0.00 116 T 9.31 5.39 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 1.21 0.00 0.00 117 R 9.08 5.25 0.00 2.00 2.14 0.00 2.88 0.00 0.00 3.11 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 118 G 9.45 4.97 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 0.00 119 F 8.21 5.58 0.00 3.12 3.14 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 0.00 120 A 8.93 5.56 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 0.00 121 Y 8.62 4.87 0.00 3.37 3.28 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 0.00 122 Q 9.20 4.69 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.11 0.00 0.00 0.00 0.00 0.00 2.57 2.41 0.00 123 D 7.71 4.47 0.00 2.74 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 0.00 124 D 7.86 4.83 0.00 2.60 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 0.00 125 P 0.00 3.67 0.00 1.70 1.87 0.00 3.43 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.28 0.00 126 G 8.04 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 0.00 127 Q 7.50 4.45 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 128 P 0.00 4.60 0.00 2.30 2.15 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.63 0.00 129 I 8.24 3.70 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.61 1.12 0.00 0.00 130 A 7.67 4.59 0.59 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 0.00 0.00 131 H 9.13 5.53 0.00 3.05 3.22 0.00 5.56 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 V 8.92 5.06 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 0.98 0.00 0.00 1.03 0.00 0.00 133 V 9.15 5.03 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 1.15 0.00 0.00 1.00 0.00 0.00 134 G 9.33 4.55 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 0.00 135 A 8.32 5.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 F 9.00 5.06 0.00 2.84 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 *138 R 8.67 4.04 0.00 1.91 1.93 0.00 3.04 0.00 0.00 3.44 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.