NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.2841 8.3193 115.2903 56.3800 63.3011 172.2016 3 M 3.2472 9.3211 116.7231 54.5898 32.5355 175.3844 4 K 4.5955 9.0574 123.3277 54.5094 35.5201 177.2740 5 T 4.0409 8.3007 119.5322 62.8779 68.8522 174.4452 6 L 4.0383 8.4478 129.0733 54.4314 42.6314 174.9850 7 P 4.4833 0.0000 0.0000 62.3141 32.0751 175.6044 8 K 4.4416 8.3055 119.7534 55.1067 33.0514 176.2729 9 E 4.5991 8.3094 123.8365 54.2942 32.6771 174.5451 10 R 3.8445 8.5435 126.3575 56.3579 30.7270 175.3396 11 R 4.5309 7.7633 122.0037 54.5295 33.4925 175.1822 12 F 4.8439 8.2386 116.1453 57.1501 40.9782 176.6919 13 E 3.5749 8.4426 120.9626 57.0852 27.5880 174.8435 14 T 3.9369 8.3431 121.3846 66.3602 68.9216 174.3563 15 F 4.5147 9.0272 124.0390 57.7056 36.6404 176.0090 16 S 4.5985 8.2965 114.2422 59.5219 63.1515 174.2717 17 Y 4.3545 8.1152 117.6082 58.0354 38.4255 175.4057 18 L 4.6056 7.6321 120.2894 52.3441 43.2636 174.5784 19 P 4.2403 0.0000 0.0000 62.3429 31.7370 174.7527 20 P 4.2283 0.0000 0.0000 63.0855 31.7241 176.1270 21 L 4.3375 8.4013 123.1804 54.2548 42.3247 177.8861 22 S 4.3777 8.9609 119.0269 58.2247 65.0882 175.3206 23 D 4.4121 8.5681 121.9734 57.0703 40.6113 179.0134 24 R 4.0838 7.8979 118.4998 58.8410 30.1970 178.5998 25 Q 3.9564 7.8282 117.7037 58.6746 28.6646 178.6239 26 I 3.6827 8.1311 121.1372 64.4077 37.1231 178.3448 27 A 4.0907 8.1101 121.3806 55.0643 18.2042 179.5562 28 A 3.9751 7.9930 119.3190 55.4072 18.4064 179.9377 29 Q 4.0508 7.9563 116.3915 59.1943 28.7957 178.9479 30 I 4.0189 8.1371 120.9357 64.2234 37.0538 178.3286 31 E 4.0299 8.6994 120.1513 59.4219 29.2298 178.6021 32 Y 4.1050 8.0980 119.4233 61.1748 38.8722 177.5988 33 M 4.0154 8.2677 119.3601 58.9546 32.1581 178.6773 34 I 3.6398 7.9186 119.1249 64.6552 37.2013 178.2245 35 E 3.8497 7.9862 118.6408 59.1239 29.5303 178.1126 36 Q 3.6678 7.4293 117.9756 56.6344 29.0183 176.6479 37 G 3.7943 7.3569 107.3251 45.3146 0.0000 173.4957 38 F 4.9222 7.0541 117.7838 57.5682 40.0729 174.6611 39 H 4.9535 9.0798 119.3308 54.0525 30.3760 173.1748 40 P 4.9866 0.0000 0.0000 62.5023 32.9247 175.1195 41 L 4.9280 9.2409 124.9796 53.4847 45.9178 174.7326 42 I 5.0449 8.5518 126.0847 59.7636 39.7068 174.4014 43 E 5.5603 9.1895 125.6890 54.6399 34.0057 174.7171 44 F 5.7325 8.9429 115.9639 55.6994 41.9569 172.9953 45 N 4.9356 8.6496 117.8387 52.0011 41.8990 175.1678 46 E 4.0414 8.7518 122.3070 58.3172 30.3280 176.1167 47 H 5.1126 7.6250 114.9376 54.3011 33.1052 173.0902 48 S 4.5623 8.2525 114.6700 56.4943 61.1078 172.0246 49 N 4.8051 7.7741 119.8641 50.5713 39.7261 174.8429 50 P 4.4845 0.0000 0.0000 65.5174 31.6553 177.4676 51 E 3.8511 7.5746 118.6264 58.1797 29.7132 176.2775 *64 E 4.1106 7.7658 116.7871 56.2157 30.6947 175.8123 65 F 4.5058 8.3580 121.6256 59.4448 39.4756 175.6387 66 Y 4.9077 8.3204 117.7928 56.0067 39.6006 175.3722 67 W 4.7891 8.8644 124.0469 55.4713 32.0417 175.3690 68 T 4.2213 8.0587 117.8081 62.8086 69.3634 174.4031 69 M 4.4831 8.4158 126.1999 55.0927 33.2116 175.1529 70 W 4.7561 9.3846 135.0000 56.5030 31.4726 176.9019 71 K 3.3820 8.4908 128.2490 57.4497 30.9626 178.0174 72 L 4.8556 8.2381 124.6142 52.6247 45.2972 173.9417 73 P 4.2280 0.0000 0.0000 62.8969 31.7153 177.6888 74 L 4.3246 8.2408 122.9908 53.5034 40.0107 177.6505 75 F 4.3218 8.2179 120.6396 59.4420 39.7385 175.9050 76 A 4.8667 7.7254 122.2473 51.3748 19.1432 176.1109 77 C 4.2606 8.0763 121.8378 60.0263 32.2030 172.6576 78 A 4.5058 8.7363 129.0846 52.0067 20.5692 176.0138 79 A 4.7759 7.6770 119.0132 49.6691 21.1470 175.3984 80 P 4.2924 0.0000 0.0000 65.9115 31.3485 178.7079 81 Q 3.9531 8.0613 117.8050 59.0743 28.9160 177.6695 82 Q 4.0067 7.8820 120.8327 59.2852 29.0019 178.7957 83 V 3.6198 7.7481 118.5047 66.1495 31.7484 177.8687 84 L 4.0316 8.2402 118.9239 57.8863 41.3683 179.3201 85 D 4.3883 8.6900 119.4035 57.3788 40.6976 178.6531 86 E 4.1398 8.1428 119.1063 59.2892 29.4881 179.4306 87 V 3.4382 7.9716 118.4682 65.8931 31.6301 178.3966 88 R 3.8065 8.0806 117.7845 59.2159 29.8129 178.7296 89 E 3.9184 8.1615 118.3785 59.6670 29.4579 179.0644 90 C 2.4500 7.5991 118.8188 61.8743 31.1457 175.8605 91 R 3.7220 7.3942 119.0372 59.0696 29.6682 178.9200 92 S 4.1272 7.6059 112.9756 60.9869 63.0606 175.6039 93 E 3.9502 7.4710 122.0594 57.4117 30.6475 175.8370 94 Y 4.8013 7.9419 116.4153 57.0470 38.7382 177.0261 95 G 3.6390 7.8597 109.4781 47.7207 0.0000 174.1988 96 D 4.7441 8.0042 117.9926 53.5678 39.7862 175.4386 97 C 5.0129 7.7100 116.8609 58.0666 31.6254 173.4197 98 Y 4.4533 8.7541 119.0494 58.2542 38.9631 175.0437 99 I 5.4611 9.2104 123.5433 59.6975 41.2955 174.4284 100 R 4.9714 9.3971 126.5171 54.4971 33.7441 173.8044 101 V 4.6299 8.1273 125.4567 61.3342 33.4205 174.3971 102 A 5.1871 9.2170 129.1936 50.0337 22.7910 174.7454 103 G 4.5183 8.6846 107.1799 44.3349 0.0000 172.0314 104 F 4.8403 9.1622 125.9224 55.9862 42.4642 173.3715 105 D 5.0588 8.1208 127.1376 53.2140 41.5037 176.5351 106 N 4.9388 9.1468 123.6189 54.3675 38.4383 176.4849 107 I 4.0057 8.0836 120.1255 64.1402 37.4119 177.3027 108 K 4.0234 8.1998 116.2478 56.4681 32.8459 176.0765 109 E 3.8523 8.0504 119.0495 56.7979 27.8790 172.8074 110 C 4.5130 7.2715 118.3921 57.4984 36.3437 173.2941 111 Q 4.2368 8.3538 125.3131 56.2938 28.6286 175.3187 112 T 4.2190 8.7182 116.8997 62.2199 70.7585 174.9382 113 S 4.8968 7.3266 116.1101 56.7326 67.4971 173.4730 114 S 4.9438 8.6025 111.4736 57.8634 64.8557 175.1824 115 F 5.0909 8.0856 121.9920 55.4716 41.5474 173.8942 116 I 4.3235 8.6995 122.6612 61.8166 37.3812 176.2128 117 V 4.5053 8.6934 118.3199 61.8320 33.2523 175.6445 118 H 4.8838 8.0856 120.3553 54.7657 33.2107 172.0532 119 R 4.5426 8.1111 124.0126 53.2257 32.6564 174.0434 120 P 4.5301 0.0000 0.0000 61.6146 32.5868 175.6236 121 G 3.6525 8.7611 108.0891 46.7839 0.0000 173.7430 122 R 4.1024 8.4765 122.0652 56.1299 31.0535 176.2560 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 8.32 4.28 0.00 3.85 3.69 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 3 M 9.32 3.25 0.00 2.44 2.24 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 4 K 9.06 4.60 0.00 1.75 1.75 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.38 7.81 5 T 8.30 4.04 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 1.22 0.00 0.00 6 L 8.45 4.04 0.00 1.60 1.60 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.48 0.00 2.08 1.97 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 8 K 8.31 4.44 0.00 1.74 1.74 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.41 7.81 9 E 8.31 4.60 0.00 1.84 1.69 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 2.17 2.30 0.00 10 R 8.54 3.84 0.00 1.74 1.68 0.00 3.12 0.00 0.00 2.78 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.47 0.00 11 R 7.76 4.53 0.00 1.72 1.69 0.00 3.15 0.00 0.00 3.00 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.41 0.00 12 F 8.24 4.84 0.00 3.10 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 13 E 8.44 3.57 0.00 2.18 1.81 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 2.30 2.23 0.00 14 T 8.34 3.94 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 0.35 0.00 0.00 15 F 9.03 4.51 0.00 3.27 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 16 S 8.30 4.60 0.00 4.23 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 17 Y 8.12 4.35 0.00 2.98 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 18 L 7.63 4.61 0.00 1.81 1.59 0.87 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.24 0.00 2.02 2.02 0.00 3.71 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 2.04 2.15 0.00 20 P 0.00 4.23 0.00 2.04 2.04 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 21 L 8.40 4.34 0.00 1.62 1.51 0.56 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.96 4.38 0.00 4.03 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 23 D 8.57 4.41 0.00 2.79 2.77 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 24 R 7.90 4.08 0.00 1.84 1.95 0.00 3.12 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 25 Q 7.83 3.96 0.00 2.26 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 26 I 8.13 3.68 2.10 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 1.61 1.03 1.13 0.00 0.00 27 A 8.11 4.09 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 28 A 7.99 3.98 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 29 Q 7.96 4.05 0.00 2.23 2.27 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 2.24 1.84 0.00 30 I 8.14 4.02 2.12 0.00 0.00 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 1.70 1.30 1.00 0.00 0.00 31 E 8.70 4.03 0.00 2.25 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 0.00 2.36 2.45 0.00 32 Y 8.10 4.10 0.00 3.10 3.27 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 33 M 8.27 4.02 0.00 2.26 2.46 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.96 0.00 34 I 7.92 3.64 1.98 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 1.79 1.03 0.96 0.00 0.00 35 E 7.99 3.85 0.00 1.93 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 2.18 2.25 0.00 36 Q 7.43 3.67 0.00 1.25 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.51 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 37 G 7.36 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 F 7.05 4.92 0.00 2.96 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 39 H 9.08 4.95 0.00 3.35 3.29 0.00 5.81 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.99 0.00 2.11 2.02 0.00 3.83 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 41 L 9.24 4.93 0.00 1.62 1.45 0.90 0.97 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 42 I 8.55 5.04 2.11 0.00 0.00 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 1.35 0.71 0.91 0.00 0.00 43 E 9.19 5.56 0.00 2.11 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 2.28 2.24 0.00 44 F 8.94 5.73 0.00 3.04 3.08 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 45 N 8.65 4.94 0.00 1.44 1.42 0.00 0.00 7.17 7.09 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 46 E 8.75 4.04 0.00 1.89 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 2.13 2.20 0.00 47 H 7.63 5.11 0.00 3.01 3.16 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.25 4.56 0.00 2.84 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.77 4.81 0.00 2.76 2.69 0.00 0.00 6.74 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 50 P 0.00 4.48 0.00 2.15 2.16 0.00 3.73 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 1.95 1.95 0.00 51 E 7.57 3.85 0.00 2.18 1.87 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 2.26 2.25 0.00 *64 E 7.77 4.11 0.00 2.10 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 2.14 2.23 0.00 65 F 8.36 4.51 0.00 2.37 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 0.00 0.00 0.00 66 Y 8.32 4.91 0.00 3.07 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 67 W 8.86 4.79 0.00 3.12 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.06 4.22 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 0.98 0.00 0.00 69 M 8.42 4.48 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.69 0.00 70 W 9.38 4.76 0.00 3.72 3.32 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 0.00 71 K 8.49 3.38 0.00 1.63 0.74 0.00 1.68 0.00 0.00 1.53 0.00 0.00 2.73 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.81 0.21 7.81 72 L 8.24 4.86 0.00 1.54 1.50 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.23 0.00 0.49 1.47 0.00 3.47 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.88 0.00 74 L 8.24 4.32 0.00 1.71 1.63 0.98 1.31 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 75 F 8.22 4.32 0.00 3.07 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 76 A 7.73 4.87 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 77 C 8.08 4.26 0.00 3.08 2.92 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 78 A 8.74 4.51 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 79 A 7.68 4.78 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 80 P 0.00 4.29 0.00 2.20 2.19 0.00 3.63 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 81 Q 8.06 3.95 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 82 Q 7.88 4.01 0.00 2.15 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 83 V 7.75 3.62 2.29 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 1.07 0.00 0.00 0.99 0.00 0.00 84 L 8.24 4.03 0.00 1.89 1.73 0.96 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.69 4.39 0.00 2.85 2.75 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 0.00 0.00 0.00 86 E 8.14 4.14 0.00 2.19 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 2.64 2.62 0.00 87 V 7.97 3.44 2.21 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 0.98 0.00 0.00 0.99 0.00 0.00 88 R 8.08 3.81 0.00 2.03 1.91 0.00 3.32 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 89 E 8.16 3.92 0.00 2.34 2.27 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 2.44 2.41 0.00 90 C 7.60 2.45 0.00 1.31 2.40 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 91 R 7.39 3.72 0.00 1.85 1.78 0.00 3.08 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.17 0.00 92 S 7.61 4.13 0.00 3.98 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 93 E 7.47 3.95 0.00 1.86 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 2.14 1.47 0.00 94 Y 7.94 4.80 0.00 2.74 2.61 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 95 G 7.86 3.64 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 0.00 0.00 0.00 96 D 8.00 4.74 0.00 2.78 2.75 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 0.00 0.00 0.00 97 C 7.71 5.01 0.00 3.12 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 98 Y 8.75 4.45 0.00 2.84 3.12 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 0.00 99 I 9.21 5.46 1.97 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.96 0.94 0.00 0.00 100 R 9.40 4.97 0.00 1.66 1.49 0.00 2.38 0.00 0.00 2.83 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.19 0.00 101 V 8.13 4.63 1.15 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 0.77 0.00 0.00 0.81 0.00 0.00 102 A 9.22 5.19 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 0.00 103 G 8.68 4.52 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 0.00 104 F 9.16 4.84 0.00 3.18 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 0.00 105 D 8.12 5.06 0.00 2.27 2.29 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 0.00 106 N 9.15 4.94 0.00 3.05 3.27 0.00 0.00 6.32 7.81 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 0.00 107 I 8.08 4.01 2.07 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 1.33 0.61 0.93 0.00 0.00 108 K 8.20 4.02 0.00 1.73 1.77 0.00 1.88 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.49 7.81 109 E 8.05 3.85 0.00 2.10 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 2.44 2.66 0.00 110 C 7.27 4.51 0.00 2.81 2.41 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 0.00 111 Q 8.35 4.24 0.00 2.14 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.66 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 112 T 8.72 4.22 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 0.44 0.00 0.00 113 S 7.33 4.90 0.00 3.99 4.05 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 0.00 114 S 8.60 4.94 0.00 3.71 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 0.00 115 F 8.09 5.09 0.00 3.31 3.18 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 0.00 0.00 0.00 116 I 8.70 4.32 1.99 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.99 1.04 0.00 0.00 117 V 8.69 4.51 2.17 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 0.74 0.00 0.00 0.98 0.00 0.00 118 H 8.09 4.88 0.00 3.12 3.09 0.00 5.62 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.11 4.54 0.00 1.45 1.44 0.00 3.20 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.47 0.00 120 P 0.00 4.53 0.00 1.86 1.92 0.00 2.20 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 1.52 1.12 0.00 121 G 8.76 3.65 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 0.00 0.00 0.00 122 R 8.48 4.10 0.00 1.99 1.91 0.00 3.07 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.