NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 Q 4.3745 8.2033 119.1188 54.7095 30.0355 175.3713 4 E 4.1073 8.4657 120.6525 57.7896 29.2324 174.0993 5 V 3.5608 8.4434 119.6292 66.0739 32.0211 177.4443 6 E 3.9759 8.0037 117.8087 58.9888 28.0174 177.9729 7 E 4.2487 8.0821 117.5462 57.5970 29.8736 177.7370 8 T 4.1921 7.2895 114.2258 66.0699 70.0596 176.3162 9 L 3.9576 8.0201 122.0552 57.4836 41.4544 178.3005 10 K 4.2351 7.5710 117.3319 58.1287 32.5447 178.1388 11 R 3.9881 7.1993 117.2885 58.9051 30.1203 178.3896 12 I 3.9189 7.6065 119.5959 64.2405 37.2107 177.8292 13 Q 4.1804 7.4645 117.6191 58.0183 28.7579 177.0267 14 S 4.6866 7.1709 111.0755 58.1359 63.7475 173.6553 15 H 4.2722 8.8553 122.1293 56.1706 30.0825 174.3783 16 K 3.9671 8.2200 124.3449 58.3171 31.6259 176.5648 17 G 3.9051 9.1974 112.4179 45.1098 0.0000 172.2448 18 V 4.2305 7.3206 119.0449 61.7867 32.7284 175.1005 19 V 4.2127 8.7695 126.2192 64.1218 33.2985 175.4659 20 G 4.2691 7.6578 104.9396 45.4607 0.0000 171.3331 21 T 5.1574 8.1927 114.7009 62.3851 73.3988 173.4246 22 I 5.0262 8.8215 125.2662 59.8104 42.3112 174.0504 23 V 4.8371 8.6063 124.5195 61.2961 34.7861 174.5729 24 V 5.3722 8.9627 125.8289 60.1756 35.8281 172.8652 25 N 5.7372 8.4001 118.3309 50.8260 40.5789 175.3518 26 N 4.1327 9.2140 117.2545 56.1380 37.2895 176.0958 27 E 4.0895 8.0913 116.8727 57.1876 29.9765 176.8434 28 G 3.8965 9.7159 106.6737 46.1677 0.0000 173.1952 29 I 4.4641 8.0837 120.3444 58.1663 39.1901 174.0147 30 P 4.5356 0.0000 0.0000 62.5588 31.6897 174.6217 31 V 3.8314 8.7444 123.6430 62.1366 32.3853 175.4534 32 K 4.5239 7.6443 118.0398 55.0245 34.7289 175.2037 33 S 4.9460 7.9847 115.0526 58.0823 65.0159 174.7454 34 T 4.4404 8.9396 118.4498 61.7011 68.7434 174.2629 35 L 4.8451 7.2662 120.8122 52.3810 45.4179 176.7440 36 D 4.4327 8.4659 120.4818 54.0362 40.7374 177.2924 37 N 4.3054 8.8010 121.0485 56.8754 38.8707 177.1975 38 T 3.9266 7.8231 110.2464 65.0252 69.2203 176.3421 39 T 4.0923 8.2113 118.2985 66.8240 68.2581 176.8606 40 T 3.9358 8.2186 117.8741 66.8005 68.4140 176.6073 41 V 3.6404 8.0331 120.0951 66.8438 31.6708 177.6998 42 Q 3.7504 8.0275 116.3133 59.6741 28.5241 179.3788 43 Y 3.8883 8.2837 116.2963 61.2250 38.2487 178.3025 44 A 4.1372 7.8212 120.4451 55.5712 18.4883 179.5281 45 G 3.6967 8.1026 103.5255 48.2033 0.0000 175.6726 46 L 3.9469 7.9858 121.7177 57.5471 41.7766 179.5977 47 M 4.1167 8.4619 118.9657 58.3949 31.8124 178.7660 48 S 4.0869 8.1961 113.1621 61.4972 62.5741 176.0085 49 Q 3.9660 7.9378 120.4542 59.0099 28.4951 178.5066 50 L 3.9029 8.3750 121.1730 58.4946 42.0344 178.9351 51 A 4.0175 8.6211 120.5782 55.5189 18.1708 178.9100 52 D 4.2847 8.4065 117.4633 57.1854 40.7648 178.5001 53 K 3.7729 8.3457 119.4897 60.0927 32.2293 178.1564 54 A 4.2780 8.1515 120.4058 55.5938 18.3701 179.4711 55 R 3.9520 8.3185 115.5532 59.6877 30.2094 179.6013 56 S 4.0841 8.3630 114.9091 61.4589 63.0183 176.3712 57 V 3.5388 8.5638 122.2374 66.4089 31.0294 178.1514 58 V 3.6144 8.3760 117.7777 66.2203 31.1014 178.2110 59 R 4.1850 7.6227 117.8741 58.4781 29.9076 178.1248 60 D 4.5879 7.7535 117.6750 56.4381 41.2543 178.5464 61 L 4.2386 7.9597 118.8197 56.3429 41.7178 176.9798 62 D 4.3222 7.1868 114.6427 53.0072 44.5786 174.6932 63 P 4.3915 0.0000 0.0000 64.9998 31.6631 177.0341 64 S 4.6521 9.3391 113.3586 57.8956 63.0096 173.2356 65 N 5.0925 7.8405 117.6176 52.3260 41.7518 173.1527 66 D 4.8437 8.3277 122.5352 52.4237 44.8034 175.2476 67 M 4.2923 8.6730 123.1971 55.7966 32.9301 175.7564 68 T 4.5163 8.1858 113.6582 62.2678 70.9811 174.2531 69 F 5.1273 7.6741 120.8666 57.2595 42.4953 172.9163 70 L 4.8334 8.9847 127.6287 53.3011 45.8015 175.3229 71 R 4.9928 8.1518 120.3619 55.0901 32.3647 174.2529 72 V 4.3827 8.6958 117.1962 59.3807 34.2638 174.7203 73 R 4.8041 8.6051 125.4369 54.7804 31.6123 175.4552 74 S 4.9569 8.7440 122.5684 56.8951 65.5579 173.6171 75 K 4.1665 8.5073 119.0688 59.7091 32.1280 178.6344 76 K 4.1215 7.8228 117.2195 58.8996 32.6610 175.6266 77 H 4.5829 7.1165 112.1812 55.3404 31.5935 172.2594 78 E 5.1373 8.7969 119.1586 54.5326 32.4184 174.4231 79 I 5.0251 8.7692 127.6830 59.9017 39.6003 174.6718 80 M 5.2237 9.0357 123.6172 53.7916 35.3283 175.2991 81 V 4.7193 8.6968 118.9549 62.3552 34.8355 172.9797 82 A 5.1158 8.9302 132.1408 50.0389 20.1358 173.4287 83 P 5.0835 0.0000 0.0000 61.5813 32.8690 176.2377 84 D 4.7675 8.8142 125.7458 53.2922 41.9001 174.1336 85 K 4.5377 9.6452 123.6497 56.2300 31.4322 176.0990 86 D 4.6840 7.6228 112.9511 52.7809 43.1170 174.7964 87 F 5.8959 8.0922 117.0671 55.6270 43.6038 173.9904 88 I 5.1011 8.7735 114.0873 59.3426 41.4359 173.6751 89 L 4.8975 8.7787 128.3882 53.8380 43.4356 174.9779 90 I 4.8339 8.7086 128.6522 60.3231 39.1229 175.2550 91 V 4.7881 8.7668 126.0207 61.2099 34.7578 174.0914 92 I 4.6983 8.1910 128.3948 60.3694 38.8186 174.6947 93 Q 4.9869 9.2847 127.1638 54.4653 33.1618 173.9533 94 N 5.1270 9.4882 122.1230 50.8053 39.2536 173.1853 95 P 4.4629 0.0000 0.0000 63.1393 32.3356 177.1481 96 T 4.5130 7.9092 107.8890 61.4351 68.5761 174.1315 *97 D 4.4254 7.8539 124.4840 54.1303 40.5341 176.9946 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 *3 Q 8.20 4.37 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 4 E 8.47 4.11 0.00 2.06 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 0.00 2.39 2.27 0.00 5 V 8.44 3.56 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 1.10 0.00 0.00 0.89 0.00 0.00 6 E 8.00 3.98 0.00 2.08 1.95 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 2.37 2.39 0.00 7 E 8.08 4.25 0.00 1.97 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 2.28 2.33 0.00 8 T 7.29 4.19 4.37 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 1.17 0.00 0.00 9 L 8.02 3.96 0.00 1.86 1.64 0.85 0.82 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 10 K 7.57 4.24 0.00 1.96 1.79 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.41 7.81 11 R 7.20 3.99 0.00 1.86 2.16 0.00 3.28 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 12 I 7.61 3.92 1.85 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 1.37 0.56 0.90 0.00 0.00 13 Q 7.46 4.18 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.08 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 14 S 7.17 4.69 0.00 4.02 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 15 H 8.86 4.27 0.00 3.23 3.25 0.00 5.82 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.22 3.97 0.00 1.60 1.68 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.45 7.81 17 G 9.20 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 0.00 0.00 0.00 18 V 7.32 4.23 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 0.79 0.00 0.00 1.07 0.00 0.00 19 V 8.77 4.21 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 0.77 0.00 0.00 0.93 0.00 0.00 20 G 7.66 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 0.00 0.00 0.00 0.00 21 T 8.19 5.16 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 1.18 0.00 0.00 22 I 8.82 5.03 1.86 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 1.03 0.62 0.92 0.00 0.00 23 V 8.61 4.84 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 0.78 0.00 0.00 0.86 0.00 0.00 24 V 8.96 5.37 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 1.15 0.00 0.00 0.95 0.00 0.00 25 N 8.40 5.74 0.00 2.86 3.20 0.00 0.00 5.66 6.96 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 26 N 9.21 4.13 0.00 2.76 2.96 0.00 0.00 7.01 7.90 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 27 E 8.09 4.09 0.00 1.98 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 2.31 2.37 0.00 28 G 9.72 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 29 I 8.08 4.46 2.13 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.07 0.94 0.00 0.00 30 P 0.00 4.54 0.00 2.05 2.00 0.00 3.68 0.00 0.00 3.76 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 31 V 8.74 3.83 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 0.67 0.00 0.00 0.95 0.00 0.00 32 K 7.64 4.52 0.00 1.72 1.57 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.30 7.81 33 S 7.98 4.95 0.00 3.78 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 34 T 8.94 4.44 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 1.20 0.00 0.00 35 L 7.27 4.85 0.00 1.48 1.50 0.59 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.47 4.43 0.00 2.95 2.81 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 37 N 8.80 4.31 0.00 2.86 2.86 0.00 0.00 6.96 7.22 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 38 T 7.82 3.93 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 1.22 0.00 0.00 39 T 8.21 4.09 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 1.35 0.00 0.00 40 T 8.22 3.94 4.40 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 1.22 0.00 0.00 41 V 8.03 3.64 2.24 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 1.06 0.00 0.00 1.07 0.00 0.00 42 Q 8.03 3.75 0.00 2.52 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.56 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 43 Y 8.28 3.89 0.00 3.06 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 44 A 7.82 4.14 1.45 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 0.00 0.00 0.00 45 G 8.10 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 0.00 0.00 0.00 46 L 7.99 3.95 0.00 1.64 1.67 0.80 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.46 4.12 0.00 2.05 2.29 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.97 0.00 48 S 8.20 4.09 0.00 4.27 3.88 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 49 Q 7.94 3.97 0.00 2.40 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.50 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 50 L 8.37 3.90 0.00 1.79 1.85 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.62 4.02 1.40 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 0.00 0.00 52 D 8.41 4.28 0.00 2.97 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 53 K 8.35 3.77 0.00 1.86 1.97 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.53 7.81 54 A 8.15 4.28 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 55 R 8.32 3.95 0.00 2.22 2.04 0.00 3.15 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 56 S 8.36 4.08 0.00 4.06 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 57 V 8.56 3.54 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 0.99 0.00 0.00 0.93 0.00 0.00 58 V 8.38 3.61 2.24 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 0.99 0.00 0.00 1.01 0.00 0.00 59 R 7.62 4.18 0.00 2.09 1.98 0.00 3.33 0.00 0.00 3.36 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.68 0.00 60 D 7.75 4.59 0.00 2.67 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 61 L 7.96 4.24 0.00 1.76 1.73 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 62 D 7.19 4.32 0.00 2.57 2.46 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 63 P 0.00 4.39 0.00 2.08 2.09 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 64 S 9.34 4.65 0.00 3.84 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 65 N 7.84 5.09 0.00 2.63 2.78 0.00 0.00 6.91 8.47 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 66 D 8.33 4.84 0.00 2.63 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.67 4.29 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.62 0.00 68 T 8.19 4.52 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 1.32 0.00 0.00 69 F 7.67 5.13 0.00 2.86 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 70 L 8.98 4.83 0.00 1.73 1.43 0.86 0.58 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 71 R 8.15 4.99 0.00 1.90 1.54 0.00 2.21 0.00 0.00 2.65 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.61 0.00 72 V 8.70 4.38 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 0.69 0.00 0.00 0.95 0.00 0.00 73 R 8.61 4.80 0.00 1.74 1.80 0.00 3.20 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 74 S 8.74 4.96 0.00 3.80 3.75 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 75 K 8.51 4.17 0.00 1.72 1.84 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 76 K 7.82 4.12 0.00 1.54 1.83 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.34 7.81 77 H 7.12 4.58 0.00 3.46 3.42 0.00 5.59 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.80 5.14 0.00 2.07 1.83 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 2.21 2.43 0.00 79 I 8.77 5.03 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.92 1.00 0.00 0.00 80 M 9.04 5.22 0.00 2.13 2.53 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.74 0.00 81 V 8.70 4.72 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 0.93 0.00 0.00 0.99 0.00 0.00 82 A 8.93 5.12 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 83 P 0.00 5.08 0.00 2.12 2.12 0.00 3.96 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 84 D 8.81 4.77 0.00 2.65 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 85 K 9.65 4.54 0.00 1.76 2.20 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.22 1.28 7.81 86 D 7.62 4.68 0.00 2.15 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 87 F 8.09 5.90 0.00 3.00 2.82 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 88 I 8.77 5.10 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.93 0.98 0.00 0.00 89 L 8.78 4.90 0.00 1.78 1.61 0.89 0.81 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 90 I 8.71 4.83 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.49 0.96 0.00 0.00 91 V 8.77 4.79 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 1.12 0.00 0.00 0.93 0.00 0.00 92 I 8.19 4.70 1.77 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.57 0.78 0.00 0.00 93 Q 9.28 4.99 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 94 N 9.49 5.13 0.00 2.65 2.77 0.00 0.00 6.96 7.90 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 95 P 0.00 4.46 0.00 2.05 2.06 0.00 3.69 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 2.06 2.12 0.00 96 T 7.91 4.51 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 1.21 0.00 0.00 *97 D 7.85 4.43 0.00 2.47 2.52 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 * Residues marked with a * may have inaccurate shift predictions.