NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.1258 8.2544 119.6726 55.9766 32.2050 175.3914 6 I 2.0000 6.8180 118.3621 58.0182 37.9639 172.7657 7 P 3.9669 0.0000 0.0000 62.5915 32.4035 177.1523 8 K 4.0403 8.4966 121.1821 58.7617 32.6586 177.1097 9 N 4.8376 8.0454 115.5846 52.5097 37.9564 174.9428 10 W 4.7777 8.0858 119.5967 56.7344 30.4718 174.9408 11 T 5.1185 8.2643 108.6948 60.0586 72.6196 172.7634 12 I 3.7704 7.6005 122.6193 61.2347 36.7582 176.2057 13 Q 4.2723 9.0809 127.4269 57.6136 29.9312 176.7265 14 R 4.6718 7.7816 118.2104 54.7845 33.9111 173.9749 15 S 5.0358 8.5524 121.3589 56.9055 65.5574 173.9345 16 T 4.2636 8.6158 120.2613 61.0044 68.3042 172.8256 17 P 4.2184 0.0000 0.0000 61.5352 33.2670 175.3900 18 F 4.5389 7.9168 116.5743 57.8483 39.5184 175.2906 19 F 5.4032 8.9778 121.3433 56.2435 42.6680 174.6110 20 T 5.3588 8.4794 110.2108 59.5742 71.9008 174.3567 21 K 4.1113 8.9896 119.4913 60.0185 32.2599 178.4423 22 D 4.5618 7.7925 117.2648 56.6608 40.8003 176.8166 23 N 5.0550 8.0186 113.0884 51.9296 38.2681 174.2645 24 V 3.1939 7.5138 118.9551 60.9227 32.1192 174.2798 25 P 4.1279 0.0000 0.0000 62.1905 32.0210 176.4772 26 E 3.8545 9.1273 124.3725 59.3583 29.7403 178.7139 27 A 4.0319 8.0611 120.8692 55.1473 18.6288 179.4003 28 L 4.0719 7.8738 115.1197 57.6532 41.7363 178.2618 29 L 4.3095 7.6923 116.0147 55.8167 42.0176 176.6458 30 T 4.4067 7.1218 113.9247 60.8876 68.8625 173.6201 31 H 4.5514 8.7460 125.2271 57.1418 30.4096 173.8371 32 H 4.8148 8.7547 121.0266 55.5586 32.1795 171.9025 33 N 5.1595 8.0487 114.4426 51.2813 40.0076 173.8399 34 T 4.4812 8.1735 109.7830 60.3039 71.6618 173.6110 35 A 4.3104 8.3065 124.0134 51.4575 19.0460 177.8115 36 V 3.7212 8.5832 117.0627 64.7157 31.4894 176.6585 37 D 5.2717 7.9012 117.8426 52.5826 41.2966 175.1380 38 V 5.3682 7.5249 118.7892 61.4619 35.8659 174.4706 39 F 4.9848 10.2324 127.0749 55.8769 41.6151 174.9019 40 G 4.2607 9.2483 111.7628 44.8136 0.0000 172.7075 41 Q 4.9903 9.2254 130.4457 54.7377 30.1175 174.6833 42 I 4.8182 9.2347 129.7037 60.6889 38.6469 174.7903 43 C 5.2644 9.3948 126.3083 58.2325 30.4730 173.9620 44 V 4.7704 8.5093 123.6980 61.4089 34.0753 173.9261 *46 E 4.0857 8.4764 123.2587 57.2179 30.8050 176.7883 47 G 3.8931 8.8634 111.4328 45.1550 0.0000 172.4165 48 V 4.6939 8.4092 119.0041 61.1687 35.4917 175.7598 49 V 4.7221 8.7077 127.3101 61.4778 33.9431 174.1582 50 T 4.7674 8.9819 125.6772 62.6029 70.2001 173.0532 51 Y 5.0723 9.0641 128.0064 55.9529 41.6535 173.6872 52 Y 4.9821 8.7584 124.2001 56.0752 41.0733 174.8544 53 G 4.7213 9.2617 111.4447 44.4431 0.0000 171.9503 54 F 5.2206 8.8128 120.9657 55.0668 41.6933 175.4710 55 A 4.3778 9.0205 125.6598 55.2867 18.5188 176.6804 56 N 4.9787 7.6474 110.8727 51.9459 39.8305 174.9730 57 S 2.7900 8.4488 112.2467 60.2479 62.8392 174.7274 58 E 4.0636 7.6392 116.0349 55.7999 30.1398 176.0522 59 A 4.1208 7.6031 124.5705 52.5399 18.7609 177.3741 60 T 4.2058 8.4960 112.2116 61.5709 70.4255 174.3799 61 E 4.7097 8.0831 122.1889 53.6760 30.9104 173.9809 62 P 3.7360 0.0000 0.0000 62.6173 31.8639 176.0429 63 E 4.3990 8.8888 118.7957 57.5529 30.8408 176.1645 64 I 4.5630 7.3418 120.9004 59.5617 41.8080 173.0258 65 K 4.8655 8.6624 129.8146 54.6440 34.6773 175.1900 66 V 4.4504 8.7673 127.3695 61.1959 34.9923 174.8085 67 V 4.4653 8.3680 120.2730 60.7585 33.2199 175.4397 68 I 4.5143 8.7921 124.2850 59.7869 40.4799 175.0821 69 N 5.4174 8.8903 123.9549 50.8999 41.5780 174.2964 70 A 4.3279 8.4887 122.5677 54.4448 18.5726 178.2991 71 G 4.0103 8.9041 109.7765 45.3735 0.0000 172.7707 72 Q 4.8953 7.9977 118.0569 54.0259 33.0885 174.1103 73 F 5.5280 7.9371 113.5554 55.7020 41.2762 173.4501 74 A 4.6974 9.2361 121.2065 50.4831 22.2712 174.9973 75 T 5.0311 8.4998 118.0492 62.0068 70.7623 174.0412 76 S 4.8046 9.1406 123.9201 56.6598 64.7353 172.5524 77 P 4.1985 0.0000 0.0000 61.0671 33.1084 173.8657 78 P 4.3007 0.0000 0.0000 63.7517 31.3968 176.3025 79 Q 3.6058 8.2317 119.5503 56.1588 26.5917 172.4815 80 Y 4.5521 7.7100 120.2836 56.8025 40.4208 174.4092 81 W 4.8170 8.2919 126.7861 56.4863 30.8130 175.0966 82 H 5.4909 8.9629 119.8278 55.4600 32.1023 172.1414 83 R 5.0825 8.6207 113.2552 55.1610 32.6923 174.0562 84 I 5.2804 8.4521 113.8167 59.3419 40.7119 174.1925 85 E 4.8814 9.3786 123.7787 54.7013 32.5346 174.8557 86 L 5.2506 8.4303 122.7769 52.9854 44.3186 176.6413 87 S 4.5020 8.3519 117.7082 57.7138 64.1555 173.9961 88 D 4.5327 8.8524 119.3134 56.9305 40.5838 177.0967 89 D 5.0822 7.8643 116.7478 52.9903 40.2720 176.6004 90 A 4.5688 8.0983 121.5337 52.9366 19.7950 177.0970 91 Q 5.0391 9.4913 124.2796 54.3349 31.8226 174.2282 92 F 5.4799 9.1638 120.4693 56.2284 42.1449 172.3576 93 N 5.0477 9.5537 116.0809 51.5739 41.4161 173.1520 94 I 5.1502 8.1223 118.5274 59.6176 41.5887 174.0987 95 N 5.1778 8.9962 123.5570 51.4381 41.4273 173.5304 96 F 5.3036 9.4674 123.2248 55.8944 41.0613 174.7408 97 W 5.6000 9.7953 124.9461 55.3293 31.1188 175.4853 98 S 4.6767 8.7760 116.6155 56.8562 65.9388 174.6808 99 D 3.3700 7.0376 119.2147 55.9230 41.2670 176.0480 100 Q 4.0536 7.7915 121.8613 56.5796 28.6710 176.8503 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 R 8.25 4.13 0.00 1.80 2.33 0.00 3.33 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 6 I 6.82 2.00 0.56 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 -0.19 0.23 0.00 0.00 7 P 0.00 3.97 0.00 1.26 1.78 0.00 2.20 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.59 0.00 8 K 8.50 4.04 0.00 1.82 1.85 0.00 1.54 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.43 7.81 9 N 8.05 4.84 0.00 2.96 3.05 0.00 0.00 6.08 8.88 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 10 W 8.09 4.78 0.00 3.44 3.43 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 11 T 8.26 5.12 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 1.32 0.00 0.00 12 I 7.60 3.77 1.32 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.63 0.00 0.00 13 Q 9.08 4.27 0.00 1.88 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.57 0.00 0.00 0.00 0.00 0.00 2.48 2.29 0.00 14 R 7.78 4.67 0.00 1.84 1.84 0.00 3.08 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 15 S 8.55 5.04 0.00 3.61 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 16 T 8.62 4.26 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 1.00 0.00 0.00 17 P 0.00 4.22 0.00 1.95 1.87 0.00 3.61 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.87 0.00 18 F 7.92 4.54 0.00 2.87 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 19 F 8.98 5.40 0.00 2.13 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.48 5.36 4.33 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 1.31 0.00 0.00 21 K 8.99 4.11 0.00 1.83 1.97 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.53 1.46 7.81 22 D 7.79 4.56 0.00 2.81 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 23 N 8.02 5.06 0.00 2.85 2.90 0.00 0.00 6.04 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 24 V 7.51 3.19 2.42 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 0.80 0.00 0.00 1.04 0.00 0.00 25 P 0.00 4.13 0.00 1.99 1.89 0.00 2.34 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 26 E 9.13 3.85 0.00 1.97 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 2.38 2.34 0.00 27 A 8.06 4.03 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 28 L 7.87 4.07 0.00 1.90 2.00 1.20 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.69 4.31 0.00 1.82 1.76 0.98 0.78 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 30 T 7.12 4.41 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 1.28 0.00 0.00 31 H 8.75 4.55 0.00 3.09 3.18 0.00 6.01 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 H 8.75 4.81 0.00 3.09 3.37 0.00 5.29 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.05 5.16 0.00 1.96 1.42 0.00 0.00 6.38 7.71 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 34 T 8.17 4.48 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 1.47 0.00 0.00 35 A 8.31 4.31 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 36 V 8.58 3.72 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 0.78 0.00 0.00 0.98 0.00 0.00 37 D 7.90 5.27 0.00 2.74 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 38 V 7.52 5.37 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 1.40 0.00 0.00 1.02 0.00 0.00 39 F 10.23 4.98 0.00 3.12 2.99 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 40 G 9.25 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 0.00 0.00 0.00 41 Q 9.23 4.99 0.00 2.32 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.83 0.00 0.00 0.00 0.00 0.00 2.21 2.11 0.00 42 I 9.23 4.82 2.01 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.60 1.10 0.00 0.00 43 C 9.39 5.26 0.00 3.15 2.99 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 44 V 8.51 4.77 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 1.11 0.00 0.00 1.01 0.00 0.00 *46 E 8.48 4.09 0.00 2.06 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 2.39 2.32 0.00 47 G 8.86 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 V 8.41 4.69 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 0.96 0.00 0.00 0.94 0.00 0.00 49 V 8.71 4.72 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 0.88 0.00 0.00 0.77 0.00 0.00 50 T 8.98 4.77 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 0.82 0.00 0.00 51 Y 9.06 5.07 0.00 3.01 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 52 Y 8.76 4.98 0.00 2.95 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 53 G 9.26 4.72 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 0.00 0.00 0.00 54 F 8.81 5.22 0.00 2.76 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 55 A 9.02 4.38 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 56 N 7.65 4.98 0.00 2.91 2.97 0.00 0.00 6.01 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 57 S 8.45 2.79 0.00 3.19 3.81 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 58 E 7.64 4.06 0.00 2.00 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 2.42 2.31 0.00 59 A 7.60 4.12 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 60 T 8.50 4.21 4.17 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 1.08 0.00 0.00 61 E 8.08 4.71 0.00 2.04 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 2.28 2.25 0.00 62 P 0.00 3.74 0.00 1.95 1.27 0.00 3.82 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 63 E 8.89 4.40 0.00 2.00 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 2.56 2.36 0.00 64 I 7.34 4.56 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.80 1.14 0.00 0.00 65 K 8.66 4.87 0.00 1.68 1.56 0.00 1.86 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.99 0.55 7.81 66 V 8.77 4.45 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 0.70 0.00 0.00 0.88 0.00 0.00 67 V 8.37 4.47 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 0.70 0.00 0.00 0.90 0.00 0.00 68 I 8.79 4.51 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.68 0.91 0.00 0.00 69 N 8.89 5.42 0.00 2.74 2.73 0.00 0.00 6.44 7.66 0.00 0.00 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 A 8.49 4.33 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 71 G 8.90 4.01 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 0.00 0.00 0.00 72 Q 8.00 4.90 0.00 2.09 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.61 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 73 F 7.94 5.53 0.00 3.12 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 74 A 9.24 4.70 0.94 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 75 T 8.50 5.03 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 1.40 0.00 0.00 76 S 9.14 4.80 0.00 3.85 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 77 P 0.00 4.20 0.00 1.89 2.05 0.00 3.57 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 1.88 1.66 0.00 78 P 0.00 4.30 0.00 1.93 2.16 0.00 3.20 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 79 Q 8.23 3.61 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 80 Y 7.71 4.55 0.00 3.17 2.99 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 81 W 8.29 4.82 0.00 3.19 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 82 H 8.96 5.49 0.00 2.66 3.36 0.00 5.30 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.62 5.08 0.00 2.12 2.10 0.00 2.66 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.69 0.00 84 I 8.45 5.28 1.88 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.74 1.05 0.00 0.00 85 E 9.38 4.88 0.00 2.09 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 2.30 2.45 0.00 86 L 8.43 5.25 0.00 1.57 1.63 1.14 0.63 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 87 S 8.35 4.50 0.00 3.94 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 88 D 8.85 4.53 0.00 2.69 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 89 D 7.86 5.08 0.00 2.67 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 90 A 8.10 4.57 1.44 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 0.00 0.00 0.00 91 Q 9.49 5.04 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.60 0.00 0.00 0.00 0.00 0.00 1.90 2.10 0.00 92 F 9.16 5.48 0.00 3.50 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 93 N 9.55 5.05 0.00 2.65 2.71 0.00 0.00 7.15 7.64 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 94 I 8.12 5.15 1.87 0.00 0.00 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 1.61 1.30 0.39 0.00 0.00 95 N 9.00 5.18 0.00 2.55 2.30 0.00 0.00 6.74 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 96 F 9.47 5.30 0.00 3.07 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 97 W 9.80 5.60 0.00 3.51 3.45 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 98 S 8.78 4.68 0.00 3.61 3.95 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 99 D 7.04 3.37 0.00 1.64 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 0.00 0.00 0.00 100 Q 7.79 4.05 0.00 2.19 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.42 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.