NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5169 8.3349 116.7425 58.5405 62.8450 173.1172 2 K 4.3202 7.7121 121.7172 54.7124 33.8950 175.7832 3 T 5.3672 9.2673 112.7894 60.1380 72.8751 172.5935 4 I 4.3881 8.6270 123.5346 59.5402 40.0266 174.5769 5 V 4.6257 8.3797 127.0326 61.3113 33.1209 174.5652 6 L 4.5832 9.3443 129.3330 53.0970 43.8444 175.4485 7 S 4.6586 8.6745 119.6032 57.1962 62.8588 174.1978 8 V 4.2341 8.1127 129.1918 61.2420 31.6496 176.9738 9 G 3.9196 7.8954 118.4594 46.2571 0.0000 172.2021 10 E 3.9499 9.2667 123.0468 58.6971 30.0593 176.3958 11 A 4.1693 7.8806 122.2064 52.2476 19.1232 176.0195 12 T 5.0878 8.2251 111.4032 59.9617 71.9167 173.7554 13 R 4.6285 9.1421 121.6385 54.8597 33.8753 174.2283 14 T 4.9875 8.6024 120.3644 61.8198 71.2600 173.0973 15 L 4.8780 9.0311 127.8687 53.5314 43.7200 175.8613 16 T 4.9889 8.9589 121.9393 62.0551 70.5837 174.2249 17 E 4.1491 9.1190 127.5918 56.1122 29.7982 176.5329 18 I 4.3872 8.0844 118.0815 60.5350 39.4621 174.7556 19 Q 4.4459 7.2803 120.3863 55.7630 31.4534 172.0258 20 S 5.0256 8.0334 114.4694 57.3028 65.4500 172.2868 21 T 4.3202 7.3521 115.6786 64.4565 74.4246 174.0249 *24 R 4.2955 7.6743 129.9373 56.7143 31.6988 174.1872 25 Q 4.6201 8.8997 125.9257 54.9430 31.0928 175.1846 26 I 5.0729 8.0987 121.8604 59.7086 41.0930 174.4669 27 F 5.2920 9.6585 125.4822 55.8342 42.4297 174.3689 28 E 5.1679 9.4081 120.3524 54.6114 34.2247 174.6100 29 E 4.7042 8.8686 124.4141 54.3736 29.7625 177.7333 30 K 4.3965 8.2081 131.7180 54.8011 30.9399 176.5320 31 V 4.4189 6.9129 117.8117 62.0944 35.8056 176.6559 32 G 3.8317 8.6601 112.2877 44.6482 0.0000 171.3937 33 P 4.5050 0.0000 0.0000 62.4279 32.2660 176.7663 34 L 4.1191 8.3981 119.2355 57.8896 41.8032 178.8557 35 V 3.7551 7.5969 110.3836 62.1886 32.0501 175.7746 36 G 3.8913 8.6381 109.8814 46.7069 0.0000 174.1660 37 R 4.1157 7.9314 117.5671 54.9452 31.0457 176.3880 38 L 4.2272 8.4960 123.5520 55.6550 43.2904 175.4559 39 R 5.0099 8.7882 126.0542 54.4228 33.3035 173.4893 40 L 5.1592 8.9726 128.6474 53.8325 44.2895 174.8431 41 T 5.2598 9.1885 123.4009 61.9045 71.2334 173.4889 42 A 5.4358 9.1341 126.7247 50.5927 23.2672 174.9889 43 S 4.9634 8.9769 113.9932 57.2597 67.2253 172.8247 44 L 5.3368 8.3148 122.0329 53.7205 44.8268 175.0802 45 R 4.7883 8.8318 121.4311 55.5720 33.4767 173.7731 46 Q 4.8512 8.3634 118.3806 53.9572 31.3274 174.9290 47 N 4.4439 8.4643 119.7631 53.3275 40.0194 176.2578 48 G 3.6206 8.8195 110.4081 48.7511 0.0000 175.0029 49 A 4.0500 8.0592 120.3872 52.0371 18.8239 176.9661 50 K 3.7257 7.3395 114.6890 58.1758 30.2107 175.7056 51 T 4.6285 7.3875 104.7595 61.1075 70.7763 173.4352 52 A 4.9197 7.3720 121.5924 51.6889 22.6255 175.4086 53 Y 4.9276 9.4829 119.3198 56.6056 41.2442 175.2884 54 R 4.5559 9.0511 120.9840 54.8280 33.1994 174.0556 55 V 4.3835 8.9122 128.4515 62.1213 32.8605 174.3580 56 N 5.4595 8.7428 125.6992 51.9650 40.8469 174.0798 57 L 5.2134 8.7886 123.6953 53.7145 46.5417 174.9589 58 K 4.9656 9.0647 126.4714 55.6510 36.0609 174.1849 59 L 5.0284 8.9382 128.6571 53.6461 43.7208 175.0370 60 D 4.9781 9.2366 124.9999 52.6978 43.3114 174.7579 61 Q 4.5994 9.0899 128.5131 54.1526 30.7091 174.2541 62 A 4.5955 8.5359 128.7077 51.7371 19.7646 175.8596 63 D 4.4896 8.7939 122.1212 52.9050 42.4731 175.4501 64 V 4.9217 8.2434 119.6441 59.4716 34.0703 175.7226 65 V 4.5109 8.3657 124.0249 59.5806 34.5950 174.7611 66 D 4.7021 8.8673 123.4593 52.9825 39.0542 176.9030 67 S 4.6246 7.9430 123.5236 56.9405 62.8679 174.1908 68 G 3.5629 7.6998 114.2124 45.6987 0.0000 171.5992 *75 L 4.6228 8.3429 117.9199 53.5169 44.4473 174.5656 76 P 4.8572 0.0000 0.0000 63.1230 32.2020 175.6025 77 K 4.6522 8.9082 120.6644 55.1592 36.4343 175.3891 78 V 3.9613 8.3929 123.3177 63.5937 31.3843 175.3378 79 R 4.4009 9.2749 129.9760 58.7808 30.9453 175.4529 80 Y 5.0292 6.9582 114.5505 56.3250 41.4051 173.2300 81 T 5.1494 8.6070 109.4545 60.1107 71.5504 173.1465 82 Q 4.9190 9.0209 123.3202 54.3032 32.0671 174.7321 83 V 5.0016 8.2539 120.1916 61.1977 35.6063 174.7657 84 W 5.1097 9.1756 135.0000 56.1381 33.3221 173.7831 85 S 5.5276 8.9535 121.6140 56.9920 65.5056 173.0583 86 H 5.1642 9.8308 118.3424 54.2834 32.9287 172.5836 87 D 5.0117 8.7456 120.1822 53.0933 43.7326 174.2929 88 V 4.4321 9.2171 127.2378 61.3939 34.1172 174.3034 89 T 4.9500 8.6808 124.6843 62.2673 69.8965 173.6984 90 I 4.5615 8.4065 128.0494 59.3819 40.1271 175.3871 91 V 4.2935 8.3873 126.3090 61.9615 32.4328 176.4299 92 A 4.3850 8.7588 129.3822 54.1081 18.8371 177.6745 93 N 5.0543 7.6057 111.5447 52.4565 39.5765 174.3926 94 S 4.5010 7.9545 112.5163 57.7058 64.9259 174.9556 95 T 4.2074 8.0843 111.7373 61.1363 70.8213 175.0404 96 E 3.8771 8.7459 122.4821 59.6469 29.6308 178.9588 97 A 4.0131 8.0179 120.0951 55.2548 18.2937 179.2484 98 S 4.0517 8.1575 111.4799 61.8216 62.4572 176.7583 99 R 4.0113 7.9282 120.1715 58.9454 29.8373 178.9162 100 K 4.0477 8.5880 120.1106 59.3601 32.1285 178.8858 101 S 4.1197 8.1927 113.6469 61.3239 62.4080 175.9210 102 L 3.9801 7.7862 123.2085 58.1159 41.6945 178.3292 103 Y 3.9951 8.1333 119.5271 60.9185 38.9715 177.5664 104 D 4.2217 8.7301 120.1426 57.4538 40.8749 178.9983 105 L 4.0035 8.1187 119.4373 58.0049 41.4988 179.7635 106 T 3.8566 7.7040 115.3002 66.4289 68.1793 176.6748 107 K 3.6737 7.6967 120.7448 59.4333 32.3160 178.8575 108 S 4.1825 7.8847 115.1175 61.4285 62.6657 175.9624 109 L 3.9199 8.1228 123.4687 58.5429 41.5180 179.3499 110 V 3.7729 7.8964 116.4953 65.9220 31.5882 177.4804 111 A 4.1305 7.6009 118.5225 53.1795 18.9654 177.9411 112 T 4.0171 7.1237 107.5817 61.3143 69.6837 175.7334 113 S 4.1500 8.8361 120.2735 61.9999 62.6339 176.8160 114 Q 3.9387 8.0735 121.7024 59.2366 28.9556 178.3545 115 V 3.7360 7.7468 118.8617 65.3735 31.5140 177.5526 116 E 4.0347 8.1799 119.2542 59.5270 29.4176 178.6455 117 D 4.3582 8.3985 118.9881 57.0805 40.6885 178.5079 118 L 4.1339 7.7017 122.3892 57.4546 41.8653 179.1936 119 V 3.5198 7.3951 116.5487 65.8244 31.7428 177.9169 120 V 3.8803 8.0000 116.8922 64.8429 30.5741 176.0322 121 N 4.8754 7.9622 112.7047 51.7923 40.1932 174.6798 122 L 3.5595 7.7014 116.8551 55.5591 39.6836 174.3409 123 V 3.8881 7.0559 116.6023 61.2832 31.8504 174.1855 124 P 4.3568 0.0000 0.0000 62.2465 31.9097 176.1269 125 L 4.0555 8.0113 120.0104 55.4603 42.1105 176.6265 126 G 3.7736 8.1262 110.6901 45.6235 0.0000 174.3076 127 R 4.0994 8.0897 125.5473 56.6718 29.9306 174.4617 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 S 8.33 4.52 0.00 3.77 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 2 K 7.71 4.32 0.00 1.86 1.85 0.00 1.62 0.00 0.00 1.91 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.51 7.81 3 T 9.27 5.37 4.29 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 1.26 0.00 0.00 4 I 8.63 4.39 1.57 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 -0.36 0.73 0.00 0.00 5 V 8.38 4.63 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 0.78 0.00 0.00 0.92 0.00 0.00 6 L 9.34 4.58 0.00 1.49 1.50 0.86 0.48 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 7 S 8.67 4.66 0.00 3.85 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.11 4.23 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 0.82 0.00 0.00 0.90 0.00 0.00 9 G 7.90 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 10 E 9.27 3.95 0.00 1.92 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 0.00 2.29 2.36 0.00 11 A 7.88 4.17 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 12 T 8.23 5.09 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 1.20 0.00 0.00 13 R 9.14 4.63 0.00 1.63 1.81 0.00 3.23 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 14 T 8.60 4.99 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 1.23 0.00 0.00 15 L 9.03 4.88 0.00 1.66 1.68 0.90 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.96 4.99 4.28 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 1.29 0.00 0.00 17 E 9.12 4.15 0.00 1.33 1.62 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 2.00 1.72 0.00 18 I 8.08 4.39 1.84 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 1.27 0.81 0.95 0.00 0.00 19 Q 7.28 4.45 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 20 S 8.03 5.03 0.00 3.91 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 21 T 7.35 4.32 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 1.22 0.00 0.00 *24 R 7.67 4.30 0.00 1.94 1.91 0.00 3.18 0.00 0.00 3.35 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 25 Q 8.90 4.62 0.00 2.18 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.54 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 26 I 8.10 5.07 1.83 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.71 0.94 0.00 0.00 27 F 9.66 5.29 0.00 2.88 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 28 E 9.41 5.17 0.00 1.84 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 2.39 2.26 0.00 29 E 8.87 4.70 0.00 1.99 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 2.31 2.28 0.00 30 K 8.21 4.40 0.00 1.79 1.77 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.56 7.81 31 V 6.91 4.42 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 0.80 0.00 0.00 0.94 0.00 0.00 32 G 8.66 3.83 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 0.00 0.00 0.00 33 P 0.00 4.51 0.00 2.18 2.06 0.00 3.76 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 1.97 1.97 0.00 34 L 8.40 4.12 0.00 1.66 1.76 0.92 0.92 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 35 V 7.60 3.76 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 0.67 0.00 0.00 0.96 0.00 0.00 36 G 8.64 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 37 R 7.93 4.12 0.00 1.98 2.02 0.00 3.35 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 38 L 8.50 4.23 0.00 1.78 1.57 1.01 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.79 5.01 0.00 1.96 1.75 0.00 3.14 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 40 L 8.97 5.16 0.00 1.79 1.55 0.97 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 41 T 9.19 5.26 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 42 A 9.13 5.44 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 43 S 8.98 4.96 0.00 3.91 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 44 L 8.31 5.34 0.00 1.62 1.56 0.96 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 45 R 8.83 4.79 0.00 1.90 2.01 0.00 2.87 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 46 Q 8.36 4.85 0.00 1.88 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 7.08 0.00 0.00 0.00 0.00 0.00 1.79 2.30 0.00 47 N 8.46 4.44 0.00 3.00 2.75 0.00 0.00 7.49 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.82 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 0.00 0.00 0.00 49 A 8.06 4.05 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 50 K 7.34 3.73 0.00 1.81 1.80 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.30 7.81 51 T 7.39 4.63 4.21 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 1.18 0.00 0.00 52 A 7.37 4.92 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 53 Y 9.48 4.93 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 54 R 9.05 4.56 0.00 1.91 1.81 0.00 3.17 0.00 0.00 3.13 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 55 V 8.91 4.38 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 0.86 0.00 0.00 0.96 0.00 0.00 56 N 8.74 5.46 0.00 2.85 2.75 0.00 0.00 5.95 6.07 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 57 L 8.79 5.21 0.00 1.76 1.47 0.92 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 58 K 9.06 4.97 0.00 1.93 1.67 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.51 7.81 59 L 8.94 5.03 0.00 1.74 1.63 0.88 0.66 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 60 D 9.24 4.98 0.00 2.73 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 9.09 4.60 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 62 A 8.54 4.60 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 63 D 8.79 4.49 0.00 1.76 1.54 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 64 V 8.24 4.92 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 0.77 0.00 0.00 0.89 0.00 0.00 65 V 8.37 4.51 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 0.79 0.00 0.00 0.93 0.00 0.00 66 D 8.87 4.70 0.00 2.70 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 67 S 7.94 4.62 0.00 3.90 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.70 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 *75 L 8.34 4.62 0.00 1.81 1.58 0.92 1.08 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 76 P 0.00 4.86 0.00 2.10 2.03 0.00 3.80 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 1.98 1.96 0.00 77 K 8.91 4.65 0.00 1.79 1.88 0.00 1.31 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.37 7.81 78 V 8.39 3.96 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 0.75 0.00 0.00 0.91 0.00 0.00 79 R 9.27 4.40 0.00 1.77 1.77 0.00 3.42 0.00 0.00 3.29 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.63 0.00 80 Y 6.96 5.03 0.00 3.08 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 81 T 8.61 5.15 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 1.22 0.00 0.00 82 Q 9.02 4.92 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 83 V 8.25 5.00 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 0.93 0.00 0.00 0.98 0.00 0.00 84 W 9.18 5.11 0.00 3.48 2.79 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 85 S 8.95 5.53 0.00 4.07 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 86 H 9.83 5.16 0.00 3.03 3.27 0.00 5.57 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.75 5.01 0.00 2.67 2.56 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 88 V 9.22 4.43 2.14 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 1.07 0.00 0.00 1.00 0.00 0.00 89 T 8.68 4.95 4.28 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 1.24 0.00 0.00 90 I 8.41 4.56 2.00 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 1.17 1.32 0.97 0.00 0.00 91 V 8.39 4.29 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 1.03 0.00 0.00 0.96 0.00 0.00 92 A 8.76 4.38 1.32 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 0.00 0.00 93 N 7.61 5.05 0.00 2.68 2.76 0.00 0.00 6.93 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 7.95 4.50 0.00 4.04 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 95 T 8.08 4.21 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 96 E 8.75 3.88 0.00 2.04 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 2.35 2.36 0.00 97 A 8.02 4.01 1.33 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 0.00 0.00 98 S 8.16 4.05 0.00 3.93 4.08 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 99 R 7.93 4.01 0.00 2.06 1.96 0.00 3.22 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 100 K 8.59 4.05 0.00 1.91 1.83 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.52 1.43 7.81 101 S 8.19 4.12 0.00 4.07 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 0.00 102 L 7.79 3.98 0.00 1.79 1.88 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 8.13 4.00 0.00 3.15 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 0.00 104 D 8.73 4.22 0.00 2.75 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 0.00 105 L 8.12 4.00 0.00 1.74 1.71 0.95 0.57 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 0.00 106 T 7.70 3.86 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 1.20 0.00 0.00 107 K 7.70 3.67 0.00 1.17 1.70 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.29 7.81 108 S 7.88 4.18 0.00 4.07 3.86 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 0.00 109 L 8.12 3.92 0.00 1.83 1.88 0.95 0.81 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 0.00 110 V 7.90 3.77 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 0.70 0.00 0.00 1.03 0.00 0.00 111 A 7.60 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 0.00 112 T 7.12 4.02 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 1.25 0.00 0.00 113 S 8.84 4.15 0.00 3.89 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 0.00 114 Q 8.07 3.94 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 115 V 7.75 3.74 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 1.14 0.00 0.00 1.05 0.00 0.00 116 E 8.18 4.03 0.00 2.16 2.14 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 2.34 2.41 0.00 117 D 8.40 4.36 0.00 2.96 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 0.00 118 L 7.70 4.13 0.00 1.74 1.80 0.90 0.92 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 0.00 119 V 7.40 3.52 2.14 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 0.84 0.00 0.00 0.59 0.00 0.00 120 V 8.00 3.88 2.19 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 0.91 0.00 0.00 1.03 0.00 0.00 121 N 7.96 4.88 0.00 2.85 2.74 0.00 0.00 6.93 6.27 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 0.00 122 L 7.70 3.56 0.00 1.72 1.73 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 123 V 7.06 3.89 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 0.95 0.00 0.00 0.92 0.00 0.00 124 P 0.00 4.36 0.00 2.06 1.95 0.00 3.71 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 125 L 8.01 4.06 0.00 1.63 1.59 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 126 G 8.13 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 0.00 0.00 0.00 127 R 8.09 4.10 0.00 1.87 1.73 0.00 3.27 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 1.46 1.56 0.00 * Residues marked with a * may have inaccurate shift predictions.