NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1531 8.2644 123.5865 51.5900 20.8154 176.8699 2 C 3.5615 8.2609 114.0488 57.2016 40.4300 171.8363 3 D 4.2995 9.1783 122.8225 57.0211 42.5964 178.0928 4 Y 4.8357 7.9783 114.9427 56.4330 42.8343 174.5144 5 T 4.9392 8.7846 119.7037 62.2439 71.7747 174.0452 6 C 4.7274 9.2844 126.0075 55.6715 41.9729 176.4111 7 G 3.8195 8.5897 118.7626 46.7931 0.0000 174.5406 8 S 4.5548 9.0016 119.7020 58.1564 64.4346 174.2054 9 N 4.3049 8.1802 120.6043 53.2631 38.7919 172.8805 10 C 5.2728 8.2420 119.9023 55.3776 43.2046 172.8362 11 Y 5.2735 9.0640 121.1267 56.2788 41.6612 175.5365 12 S 5.1332 9.3078 118.1209 57.2455 65.5208 175.4335 13 S 4.3725 9.4064 116.6357 61.6892 62.3783 177.2554 14 S 4.1566 8.0902 116.6710 61.2735 62.8251 176.2126 15 D 4.3720 7.9592 122.7652 57.2245 40.5474 178.8159 16 V 3.4145 7.6055 118.2205 66.1435 31.4503 178.1613 17 S 4.0552 8.3431 115.1558 61.8566 62.6138 176.9235 18 T 3.8231 8.0535 118.0967 66.5031 68.2508 176.5941 19 A 4.1770 7.9781 122.6333 55.2435 18.3879 179.3127 20 Q 3.6485 8.2791 118.0944 59.3396 29.0880 178.4494 21 A 3.7658 8.1513 121.7343 54.9959 18.2095 179.5264 22 A 3.8145 7.7179 118.9265 55.1606 18.4914 180.1794 23 G 2.0634 6.9319 104.1229 47.3180 0.0000 175.3414 24 Y 3.6332 7.1983 122.1345 60.0581 38.7158 177.8608 25 K 3.6915 7.6870 120.5317 59.5698 32.1747 178.7161 26 L 3.8571 7.3159 119.2237 57.8038 41.6093 178.8483 27 H 3.9681 7.9542 118.1823 59.1842 29.5256 176.8993 28 E 3.5918 7.7783 119.2026 59.6073 29.4812 178.9118 29 D 4.5040 7.8688 115.5631 54.4130 40.9632 176.8236 30 G 3.8227 7.5987 107.2004 46.5263 0.0000 173.2082 31 E 5.0101 8.1245 117.7526 54.3743 32.5569 175.5741 32 T 5.1936 8.3854 110.4403 60.4951 72.4378 173.1333 33 V 4.5953 9.3784 114.9164 60.7473 36.5873 176.5484 34 G 4.8647 8.8921 105.7955 47.3356 0.0000 174.9509 35 S 4.2229 8.5838 115.0090 61.0893 62.9590 175.2803 36 N 4.5163 8.2841 115.1827 52.3394 38.8628 175.0937 37 S 3.7576 7.5461 113.8118 59.7184 60.5691 170.9762 38 Y 5.1144 8.7715 119.8769 56.0465 40.2669 174.3431 39 P 5.6216 0.0000 0.0000 63.2395 32.7061 174.9228 40 H 5.3005 8.7598 116.2755 53.1884 32.4667 172.4396 41 K 3.9902 9.0082 120.3185 57.3622 32.6591 175.1153 42 Y 4.6297 8.2836 127.9289 56.0040 40.1408 175.1946 43 N 4.1351 8.1938 123.8191 53.2208 39.5439 174.3346 44 N 3.6616 6.1055 115.8872 54.3438 37.0483 175.2479 45 Y 4.3506 7.1499 115.8606 61.0639 38.4584 178.3573 46 E 3.7923 7.9331 118.2877 57.2144 29.6644 176.6960 47 G 3.6301 7.5670 106.1282 46.3936 0.0000 174.0302 48 F 4.3127 7.6988 119.9583 57.8265 39.8306 177.3685 *49 D 4.7112 8.1959 124.3124 51.7682 38.2189 175.7147 50 F 4.7418 7.4999 121.9770 57.6065 39.9129 176.2846 51 S 4.4859 8.8215 118.3707 59.2837 63.6778 174.2983 52 V 4.4937 7.5867 114.0696 59.5010 33.8396 175.3049 53 S 4.5758 8.3473 116.2375 57.6052 64.0862 174.2539 54 S 3.3560 7.7887 116.8206 55.9015 64.1457 171.7008 55 P 4.0153 0.0000 0.0000 63.3611 32.0306 175.0014 56 Y 4.9968 7.8408 117.9671 56.7759 41.6374 174.1444 57 Y 5.0968 8.4029 117.9616 56.3462 42.4733 174.0313 58 E 5.0331 9.2754 121.2526 54.5498 32.7844 174.6809 59 W 5.4074 8.8844 131.0979 55.1324 34.4857 172.4272 60 P 4.3500 0.0000 0.0000 62.3666 31.4494 175.3329 61 I 4.3002 7.7960 123.8399 59.0927 40.2020 174.5809 62 L 4.7339 8.3312 129.1810 52.8743 43.2134 177.8241 63 S 4.3032 8.8654 118.1258 61.1194 63.2031 175.8264 64 S 4.1232 8.0629 115.2175 59.8073 62.8269 175.1460 65 G 4.0867 8.1808 107.6413 44.9990 0.0000 173.3291 66 D 4.6386 7.7450 119.2444 53.6260 41.7082 176.0055 67 V 4.1387 8.0472 121.2398 61.6814 32.6445 175.3860 68 Y 4.1313 8.6196 127.7957 58.3413 38.9555 176.4244 69 S 4.4541 7.6787 119.2963 58.5394 64.1107 174.5912 70 G 3.9413 6.0829 108.3179 45.9640 0.0000 174.7087 71 G 4.1571 6.9416 110.9715 44.6392 0.0000 173.3833 72 S 4.2274 8.8074 118.4706 58.5948 63.1040 172.8887 73 P 3.9135 0.0000 0.0000 63.3703 31.7733 177.6389 74 G 3.7570 7.9073 106.6220 44.8312 0.0000 171.9299 75 A 4.5819 8.3759 117.9069 52.6706 20.9139 177.2511 76 D 5.3055 7.9911 115.3437 53.3514 43.3971 175.9349 77 R 4.9017 8.6948 119.4932 54.7915 35.2386 174.3022 78 V 4.4289 8.8725 115.7730 59.6265 34.5109 174.9529 79 V 4.6920 8.4957 125.2267 60.9950 33.6874 174.4244 80 F 5.4847 8.2580 122.2723 55.1694 42.1427 173.0859 81 N 5.5815 8.7317 116.2767 49.9924 39.9523 174.9753 82 E 4.2116 9.1799 118.4529 59.4370 29.6711 177.0849 83 N 4.7293 8.4965 113.7382 52.3568 38.7053 174.0084 84 N 3.7766 7.9111 115.5009 54.5120 37.9528 173.7919 85 Q 4.4872 8.2885 114.7996 53.7413 30.6636 175.1089 86 L 4.4619 8.3071 123.7344 54.5909 42.8127 176.2768 87 A 3.9600 8.8360 130.0385 52.9102 19.2545 176.9855 88 G 3.8580 6.1982 101.6824 46.3543 0.0000 171.7474 89 V 4.7104 7.4102 119.2538 60.7490 34.0477 174.3140 90 I 5.0252 8.2141 120.4254 59.4814 41.3930 173.9831 91 T 5.3358 9.1768 116.1691 61.3000 70.9990 174.1295 92 H 4.6096 9.2061 122.0189 56.6655 29.3320 175.8029 93 T 4.0681 7.7382 117.5370 65.0917 68.1964 174.6949 94 G 3.9188 9.2371 114.7857 45.1014 0.0000 172.3237 95 A 4.8297 7.5565 121.6083 50.0856 21.7060 176.5841 96 S 4.6525 8.4155 114.3245 57.5657 65.7405 175.1920 97 G 3.6927 8.2306 109.5570 47.3510 0.0000 173.8690 98 N 4.6417 8.5437 117.8564 53.5315 39.5602 175.1192 99 N 4.9838 7.9183 114.2762 52.3072 39.8271 173.8850 100 F 5.4917 8.6906 117.0030 56.1558 42.9527 175.1917 101 V 4.9803 9.0809 112.9304 59.7138 36.0299 175.1252 102 E 4.2324 8.6804 121.8439 56.3215 30.2751 177.3345 103 C 4.7770 8.8014 121.0542 56.7414 41.4950 174.1437 104 T 4.1789 8.2397 111.4654 61.8674 68.6045 174.5329 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 A 8.26 4.15 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 2 C 8.26 3.56 0.00 3.17 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 3 D 9.18 4.30 0.00 2.80 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 4 Y 7.98 4.84 0.00 2.97 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 5 T 8.78 4.94 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 1.25 0.00 0.00 6 C 9.28 4.73 0.00 3.15 3.25 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 7 G 8.59 3.82 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 0.00 0.00 0.00 8 S 9.00 4.55 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 9 N 8.18 4.30 0.00 2.81 2.22 0.00 0.00 6.69 7.01 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 10 C 8.24 5.27 0.00 2.71 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 11 Y 9.06 5.27 0.00 2.96 2.80 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 0.00 0.00 0.00 12 S 9.31 5.13 0.00 3.94 4.11 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 13 S 9.41 4.37 0.00 3.92 4.02 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 14 S 8.09 4.16 0.00 4.07 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 15 D 7.96 4.37 0.00 3.01 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 16 V 7.61 3.41 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 0.90 0.00 0.00 0.64 0.00 0.00 17 S 8.34 4.06 0.00 4.01 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 18 T 8.05 3.82 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 1.24 0.00 0.00 19 A 7.98 4.18 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 20 Q 8.28 3.65 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 1.93 2.22 0.00 21 A 8.15 3.77 1.28 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 0.00 0.00 22 A 7.72 3.81 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 23 G 6.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 7.20 3.63 0.00 2.21 2.59 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 25 K 7.69 3.69 0.00 1.87 1.78 0.00 1.49 0.00 0.00 1.58 0.00 0.00 3.24 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.42 7.81 26 L 7.32 3.86 0.00 1.61 1.85 1.04 0.92 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 27 H 7.95 3.97 0.00 3.10 3.21 0.00 5.80 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 28 E 7.78 3.59 0.00 1.88 1.79 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 1.69 2.20 0.00 29 D 7.87 4.50 0.00 2.56 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 30 G 7.60 3.82 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 0.00 0.00 0.00 31 E 8.12 5.01 0.00 1.82 1.86 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 2.23 2.34 0.00 32 T 8.39 5.19 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 1.35 0.00 0.00 33 V 9.38 4.60 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 0.85 0.00 0.00 1.35 0.00 0.00 34 G 8.89 4.86 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 0.00 0.00 0.00 35 S 8.58 4.22 0.00 3.95 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 36 N 8.28 4.52 0.00 2.39 2.37 0.00 0.00 7.03 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 37 S 7.55 3.76 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 38 Y 8.77 5.11 0.00 3.17 3.17 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 0.00 39 P 0.00 5.62 0.00 2.32 2.47 0.00 4.05 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.24 0.00 40 H 8.76 5.30 0.00 3.19 3.71 0.00 5.28 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.01 3.99 0.00 1.80 1.72 0.00 1.65 0.00 0.00 1.53 0.00 0.00 2.57 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.11 1.00 7.81 42 Y 8.28 4.63 0.00 2.86 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 43 N 8.19 4.14 0.00 1.44 2.28 0.00 0.00 7.12 8.00 0.00 0.00 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 N 6.11 3.66 0.00 3.14 2.82 0.00 0.00 7.20 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 45 Y 7.15 4.35 0.00 2.95 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 46 E 7.93 3.79 0.00 1.16 1.12 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 2.47 2.32 0.00 47 G 7.57 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 48 F 7.70 4.31 0.00 1.60 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 0.00 0.00 0.00 *49 D 8.20 4.71 0.00 2.69 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 0.00 0.00 0.00 0.00 50 F 7.50 4.74 0.00 3.01 2.76 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 51 S 8.82 4.49 0.00 4.04 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 52 V 7.59 4.49 2.32 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 0.82 0.00 0.00 1.04 0.00 0.00 53 S 8.35 4.58 0.00 3.95 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 54 S 7.79 3.36 0.00 3.22 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 55 P 0.00 4.02 0.00 1.78 2.04 0.00 3.60 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 2.21 2.03 0.00 56 Y 7.84 5.00 0.00 3.18 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 57 Y 8.40 5.10 0.00 1.94 2.51 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 58 E 9.28 5.03 0.00 1.89 1.77 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 2.27 2.19 0.00 59 W 8.88 5.41 0.00 3.66 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 60 P 0.00 4.35 0.00 0.58 1.24 0.00 2.20 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 61 I 7.80 4.30 1.59 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.65 0.46 0.00 0.00 62 L 8.33 4.73 0.00 1.93 1.60 1.01 0.85 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 63 S 8.87 4.30 0.00 3.91 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 64 S 8.06 4.12 0.00 4.02 4.07 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 65 G 8.18 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 0.00 0.00 0.00 66 D 7.75 4.64 0.00 2.73 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 67 V 8.05 4.14 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 1.04 0.00 0.00 1.02 0.00 0.00 68 Y 8.62 4.13 0.00 2.54 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 0.00 0.00 0.00 69 S 7.68 4.45 0.00 3.87 3.78 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 70 G 6.08 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 71 G 6.94 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 72 S 8.81 4.23 0.00 3.91 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 73 P 0.00 3.91 0.00 1.83 1.69 0.00 3.91 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 2.01 2.10 0.00 74 G 7.91 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 0.00 0.00 0.00 75 A 8.38 4.58 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 76 D 7.99 5.31 0.00 2.81 2.54 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 77 R 8.69 4.90 0.00 1.37 1.53 0.00 3.26 0.00 0.00 2.90 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 78 V 8.87 4.43 2.03 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 0.52 0.00 0.00 1.17 0.00 0.00 79 V 8.50 4.69 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 0.40 0.00 0.00 0.19 0.00 0.00 80 F 8.26 5.48 0.00 3.18 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 81 N 8.73 5.58 0.00 3.09 3.21 0.00 0.00 6.53 6.94 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 82 E 9.18 4.21 0.00 2.11 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 0.00 2.41 2.56 0.00 83 N 8.50 4.73 0.00 2.93 2.82 0.00 0.00 6.86 8.00 0.00 0.00 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 N 7.91 3.78 0.00 1.44 2.28 0.00 0.00 7.02 6.62 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 85 Q 8.29 4.49 0.00 2.31 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 86 L 8.31 4.46 0.00 1.53 1.54 0.87 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.84 3.96 0.30 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 88 G 6.20 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 0.00 0.00 0.00 89 V 7.41 4.71 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 0.82 0.00 0.00 0.03 0.00 0.00 90 I 8.21 5.03 1.88 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.18 0.51 0.00 0.00 91 T 9.18 5.34 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 1.30 0.00 0.00 92 H 9.21 4.61 0.00 3.18 3.18 0.00 5.68 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 93 T 7.74 4.07 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 1.24 0.00 0.00 94 G 9.24 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 95 A 7.56 4.83 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 96 S 8.42 4.65 0.00 4.01 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 97 G 8.23 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 0.00 0.00 0.00 98 N 8.54 4.64 0.00 2.63 2.80 0.00 0.00 6.84 7.79 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 99 N 7.92 4.98 0.00 3.03 2.82 0.00 0.00 6.82 7.97 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 0.00 100 F 8.69 5.49 0.00 3.18 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 0.00 101 V 9.08 4.98 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 0.83 0.00 0.00 1.05 0.00 0.00 102 E 8.68 4.23 0.00 1.68 1.70 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 1.47 1.47 0.00 103 C 8.80 4.78 0.00 3.01 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 0.00 104 T 8.24 4.18 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 * Residues marked with a * may have inaccurate shift predictions.