NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 5.1601 8.2016 117.2367 56.7359 31.1486 174.2141 3 N 4.9112 8.3869 117.1323 50.4942 41.9959 170.1321 4 E 5.7694 9.0982 121.5107 54.3557 33.9080 173.3562 *6 H 4.6606 8.4104 114.3303 55.7910 29.9348 172.7658 7 L 4.9004 9.0124 124.7125 53.6560 45.3914 174.9884 8 Q 5.8375 8.8714 123.7667 53.4968 32.6800 174.3359 9 F 4.9350 7.6719 113.9451 55.7672 40.8775 173.2276 10 S 4.4647 8.8956 115.2019 57.8661 63.4420 175.1864 11 A 4.3959 8.3866 125.9875 52.1964 15.5730 176.6962 12 R 4.7119 7.6781 121.3400 53.3792 33.7613 178.0748 13 S 4.9324 8.4298 114.6614 60.2694 63.3685 175.6456 14 E 4.2885 8.1118 119.2364 57.9485 29.7075 177.4645 15 N 4.6669 8.0709 115.9625 54.2742 39.1259 176.8129 16 E 3.9356 7.7218 119.4246 59.5781 29.6310 178.8996 17 S 4.0428 8.1313 112.1963 61.5429 62.3562 175.4741 18 F 4.0428 8.3492 122.3733 61.4785 38.8631 176.8848 19 A 3.4363 8.0448 120.4160 55.0601 18.1140 179.8888 20 R 3.8039 7.7888 114.6009 59.2585 29.4539 179.2270 21 V 3.5202 7.6849 119.0530 65.9419 31.5017 178.1452 22 T 3.6293 7.5949 115.5588 66.4562 68.1496 176.7364 23 V 3.5133 7.7991 119.9067 66.0986 31.6027 177.7728 24 A 3.9490 8.3594 120.6212 55.0935 17.8553 179.5264 25 A 3.8760 7.8264 118.4997 55.2737 18.9502 179.2886 26 F 4.2215 8.1495 119.1479 61.6135 39.4429 177.5373 27 V 3.5446 8.2697 117.7247 65.7105 31.2668 177.4747 28 A 3.9279 7.9222 120.9143 54.9570 17.8356 179.2514 29 Q 4.0044 7.6190 114.7284 58.4162 28.4290 177.5821 30 L 4.3885 7.7063 120.3671 53.6002 43.2717 176.5189 31 D 4.2363 7.8958 117.1768 54.8077 38.6365 170.9952 32 P 4.7917 0.0000 0.0000 62.5837 34.6011 177.3097 33 T 4.4562 8.1791 110.2144 61.8606 67.4287 176.1632 *35 D 4.4490 8.9745 118.9939 54.2724 42.6556 177.0101 36 E 4.0387 8.2880 118.5792 59.4444 29.2643 179.5513 37 L 3.9629 8.1640 119.1781 58.1268 41.7192 179.5965 38 T 3.8332 7.8211 115.1627 66.7573 68.2775 176.3566 39 E 3.7865 8.1685 120.4681 59.1903 29.3705 179.5059 40 I 3.7617 7.5832 119.6564 64.4010 37.2377 178.6613 41 K 4.0592 8.3512 119.5957 59.6760 31.7313 179.6585 42 T 3.9557 8.1742 116.1796 66.4703 68.3923 176.9772 43 V 3.5572 8.1597 120.4511 65.9598 31.6033 177.9380 44 V 3.5915 8.3416 118.2755 66.3698 31.3640 177.8058 45 S 4.1603 8.1754 112.5181 61.4230 62.0510 176.0226 46 E 3.8776 8.3594 121.1386 59.4122 29.2537 179.2715 47 A 3.9667 8.1307 120.8248 55.0998 18.4815 179.8895 48 V 3.6707 8.3153 117.2771 66.4645 31.5145 178.4748 49 T 3.9826 8.1136 115.6250 66.2957 68.2472 176.5333 50 N 4.1626 7.8562 118.0854 56.2477 38.7574 177.0062 51 A 4.1219 7.9559 121.9630 55.6170 18.5038 179.8587 52 I 3.9564 7.9609 118.1119 64.1227 36.9394 178.2837 53 I 4.0928 7.9592 119.5877 62.5829 37.6750 176.7946 54 H 5.0270 8.5054 114.4409 55.6716 29.4774 174.4464 55 G 3.9753 7.7725 106.9888 45.1088 0.0000 172.2285 56 Y 4.7961 7.4883 117.7008 55.7511 39.5072 177.1240 57 N 4.7717 8.5722 123.4700 53.1413 36.8421 175.8349 58 N 4.4285 8.9753 116.0915 53.3623 38.3313 174.5159 59 D 4.4821 7.8012 118.6929 53.2766 41.2405 174.4988 60 P 4.5574 0.0000 0.0000 64.8724 31.7047 177.7334 61 N 4.3890 8.0940 115.1680 54.8015 38.7317 175.1744 62 G 2.6682 7.1426 105.5698 45.4179 0.0000 172.7762 63 I 4.8058 7.4502 120.1787 59.1278 40.6026 175.0779 64 V 4.1738 7.7069 126.8577 61.1338 33.6952 174.1721 65 S 5.1884 8.6067 122.3047 56.7106 64.8573 172.2034 66 I 5.1057 9.2462 128.7512 59.8075 39.6455 174.9363 67 S 5.0102 9.1590 122.3482 56.7233 66.6416 173.4482 68 V 4.7445 8.1908 122.9268 61.3846 34.1594 173.9299 69 I 4.4922 8.7285 130.1250 59.8687 38.8010 174.8639 70 I 4.9650 8.7965 129.3715 59.9758 39.3192 174.9810 71 E 4.7257 9.5303 126.0202 55.8820 33.4745 174.7410 72 D 4.2998 9.6517 126.9448 55.5886 38.3735 174.5182 73 G 3.8738 8.0336 102.9460 45.7898 0.0000 172.9258 74 V 4.2924 7.8612 120.3755 60.8606 33.4850 174.4818 75 V 4.3145 9.1487 128.0225 62.0381 33.0232 174.4372 76 H 4.9727 8.9774 127.3418 54.4164 29.6001 173.2389 77 L 5.2734 8.7489 126.2388 53.9432 44.0738 175.2794 78 T 5.7465 8.8582 120.6962 61.1135 73.4953 172.9694 79 V 5.3368 8.3463 122.5616 60.3976 35.4646 174.5084 80 R 4.9561 7.9722 123.9874 54.2984 33.8559 174.7454 81 D 4.6934 8.1052 113.7253 53.9498 43.5338 176.0695 82 E 4.7159 8.8802 128.2314 56.1700 30.6687 176.4948 83 G 4.0875 8.7151 110.4503 45.7992 0.0000 174.1178 84 V 3.8139 8.0171 113.3985 61.8624 32.8224 176.3813 85 G 4.6570 8.2758 110.6294 44.9257 0.0000 172.3373 86 I 4.4108 7.5858 122.3041 58.8805 36.7230 173.8756 87 P 4.3685 0.0000 0.0000 65.1061 31.9063 176.6105 88 D 4.7063 7.5343 116.9999 50.8421 41.2966 174.8065 89 I 3.5640 7.9077 125.4398 64.6277 37.1123 177.3622 90 E 3.8444 8.1115 118.3225 59.5376 29.2001 179.0273 91 E 3.7631 8.0516 118.9127 58.7892 29.3892 178.6241 92 A 3.7733 7.3333 120.1989 54.4864 18.5340 178.8513 93 R 3.7775 6.9884 114.3343 56.4047 30.5018 176.1130 94 Q 4.2332 7.4331 118.0427 55.1481 29.5093 173.5407 95 P 4.3249 0.0000 0.0000 64.3167 31.4858 176.7389 96 L 4.2011 8.7063 119.9512 55.2662 40.8294 174.4694 97 F 4.3728 7.9503 121.4958 58.4273 39.8158 174.0981 98 T 4.1648 7.0585 120.3143 60.8939 70.2326 173.3690 99 T 3.9197 8.0141 123.3129 65.0992 69.2349 175.2864 100 K 4.3355 7.5674 122.2006 54.3770 31.1641 174.5094 101 P 4.5194 0.0000 0.0000 63.3519 32.6346 178.2689 102 E 4.0629 8.1637 117.5219 58.4116 29.5883 177.2765 103 L 4.5385 7.8753 116.8780 53.5440 41.9718 175.8504 104 E 3.8009 7.7346 116.5170 57.2673 27.6478 175.3060 105 R 4.2885 7.9778 116.5480 55.7368 31.1304 177.3680 106 S 4.3876 8.6254 115.3308 57.7500 64.2881 171.6513 107 G 3.9387 7.1983 111.1000 46.2947 0.0000 173.7414 *109 G 4.1343 7.4116 111.5379 46.9319 0.0000 172.9362 110 F 4.3481 7.6127 119.5512 59.9749 39.5816 177.1888 111 T 4.4699 8.0681 116.3215 66.2692 68.6766 176.0472 112 I 3.5761 7.2218 119.7443 61.5534 36.6061 177.6253 *114 E 4.3341 8.2678 121.0843 56.4830 31.1521 177.5084 115 N 4.5461 7.8512 115.7402 55.1906 38.8165 175.5797 116 F 5.0722 7.8890 115.5909 58.0033 39.3460 176.4099 *118 D 4.7371 7.9722 121.6981 54.1241 43.4595 174.7216 119 E 4.8667 7.7616 117.5823 55.1865 33.3013 174.3775 120 V 4.6227 8.3400 125.4094 62.0047 34.3000 173.8208 121 I 4.4636 9.1707 130.5852 59.6427 39.5639 175.0981 122 V 4.7001 8.4914 127.9719 61.4755 32.6407 174.5979 123 E 4.7628 8.8634 128.3494 54.9197 32.1460 175.3135 124 S 5.0552 7.9704 116.5850 58.7047 65.1711 176.3219 125 E 4.8161 8.0469 121.8141 54.3332 34.0233 175.6277 126 V 3.6931 8.4805 122.6463 63.3118 32.2022 176.3559 127 N 4.1614 8.7798 120.4402 55.0428 37.3924 176.1872 128 K 4.1849 8.3297 119.8832 54.3129 32.2513 183.2961 129 G 4.5661 6.6633 103.8384 46.5849 0.0000 170.1847 130 T 5.0834 7.6607 114.6546 62.1141 73.1200 173.7510 131 T 5.3205 9.2283 121.6587 60.9560 72.6053 173.1156 132 V 4.6922 8.5170 127.6041 61.6244 33.3933 173.6493 133 Y 5.1976 9.3908 130.7703 56.2302 40.3720 174.1319 134 L 4.9801 8.7266 126.7337 52.5925 45.1047 175.4520 135 K 4.8853 7.9288 122.9502 54.6608 35.4647 175.7886 136 K 4.5845 8.3818 125.7034 57.9196 32.7210 174.8936 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 R 8.20 5.16 0.00 2.07 2.24 0.00 2.71 0.00 0.00 3.94 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 3 N 8.39 4.91 0.00 2.86 2.72 0.00 0.00 6.40 6.77 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 4 E 9.10 5.77 0.00 1.97 1.94 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 2.22 2.29 0.00 *6 H 8.41 4.66 0.00 3.19 3.30 0.00 5.64 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 7 L 9.01 4.90 0.00 1.68 1.51 1.07 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.87 5.84 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.59 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 9 F 7.67 4.94 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 10 S 8.90 4.46 0.00 3.99 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 11 A 8.39 4.40 1.03 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 0.00 0.00 12 R 7.68 4.71 0.00 1.90 2.09 0.00 3.14 0.00 0.00 3.39 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 13 S 8.43 4.93 0.00 4.08 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 14 E 8.11 4.29 0.00 1.96 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 2.31 2.39 0.00 15 N 8.07 4.67 0.00 3.05 2.74 0.00 0.00 6.84 7.13 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 16 E 7.72 3.94 0.00 2.21 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 0.00 2.45 2.43 0.00 17 S 8.13 4.04 0.00 3.90 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 18 F 8.35 4.04 0.00 3.06 3.11 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 19 A 8.04 3.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.79 3.80 0.00 2.05 2.18 0.00 2.89 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.59 0.00 21 V 7.68 3.52 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 0.96 0.00 0.00 0.96 0.00 0.00 22 T 7.59 3.63 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 1.00 0.00 0.00 23 V 7.80 3.51 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 1.12 0.00 0.00 0.94 0.00 0.00 24 A 8.36 3.95 1.38 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 0.00 0.00 0.00 25 A 7.83 3.88 1.38 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 0.00 0.00 0.00 26 F 8.15 4.22 0.00 3.10 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 27 V 8.27 3.54 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 1.02 0.00 0.00 1.02 0.00 0.00 28 A 7.92 3.93 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 29 Q 7.62 4.00 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.31 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 30 L 7.71 4.39 0.00 1.56 1.66 0.88 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 31 D 7.90 4.24 0.00 2.71 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 32 P 0.00 4.79 0.00 2.14 2.05 0.00 3.80 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 33 T 8.18 4.46 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 1.23 0.00 0.00 *35 D 8.97 4.45 0.00 2.68 2.68 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 0.00 0.00 0.00 0.00 36 E 8.29 4.04 0.00 2.16 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 2.27 2.30 0.00 37 L 8.16 3.96 0.00 1.73 1.68 0.89 0.96 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 38 T 7.82 3.83 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 1.17 0.00 0.00 39 E 8.17 3.79 0.00 1.97 1.66 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 0.00 1.47 2.30 0.00 40 I 7.58 3.76 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.87 0.92 0.00 0.00 41 K 8.35 4.06 0.00 1.93 1.86 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.68 7.81 42 T 8.17 3.96 4.76 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 1.34 0.00 0.00 43 V 8.16 3.56 2.39 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 1.02 0.00 0.00 1.10 0.00 0.00 44 V 8.34 3.59 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 0.98 0.00 0.00 1.01 0.00 0.00 45 S 8.18 4.16 0.00 4.03 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 46 E 8.36 3.88 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 2.55 2.35 0.00 47 A 8.13 3.97 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 48 V 8.32 3.67 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 1.28 0.00 0.00 1.17 0.00 0.00 49 T 8.11 3.98 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 1.17 0.00 0.00 50 N 7.86 4.16 0.00 2.89 2.84 0.00 0.00 6.83 8.61 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 51 A 7.96 4.12 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 52 I 7.96 3.96 1.93 0.00 0.00 1.00 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 1.13 1.02 0.00 0.00 53 I 7.96 4.09 1.60 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.58 0.86 0.00 0.00 54 H 8.51 5.03 0.00 3.18 3.29 0.00 5.61 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.77 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 0.00 0.00 0.00 56 Y 7.49 4.80 0.00 3.00 2.98 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 57 N 8.57 4.77 0.00 2.79 2.79 0.00 0.00 7.17 6.92 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 58 N 8.98 4.43 0.00 2.93 3.00 0.00 0.00 6.84 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 7.80 4.48 0.00 2.73 2.66 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 0.00 0.00 0.00 0.00 60 P 0.00 4.56 0.00 2.22 2.27 0.00 3.91 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.93 0.00 61 N 8.09 4.39 0.00 2.70 2.87 0.00 0.00 6.90 7.65 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 62 G 7.14 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.45 4.81 1.79 0.00 0.00 0.74 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 0.91 0.79 0.00 0.00 64 V 7.71 4.17 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 0.00 0.00 0.89 0.00 0.00 0.77 0.00 0.00 65 S 8.61 5.19 0.00 3.90 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 66 I 9.25 5.11 1.98 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 1.36 0.75 1.01 0.00 0.00 67 S 9.16 5.01 0.00 3.82 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 V 8.19 4.74 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 1.27 0.00 0.00 0.95 0.00 0.00 69 I 8.73 4.49 2.00 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 1.30 0.40 1.01 0.00 0.00 70 I 8.80 4.96 1.91 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.84 0.89 0.00 0.00 71 E 9.53 4.73 0.00 2.08 1.84 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 2.26 2.31 0.00 72 D 9.65 4.30 0.00 2.84 2.68 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 0.00 0.00 0.00 0.00 73 G 8.03 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.86 4.29 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 0.94 0.00 0.00 1.07 0.00 0.00 75 V 9.15 4.31 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 0.92 0.00 0.00 0.92 0.00 0.00 76 H 8.98 4.97 0.00 3.42 3.57 0.00 5.65 0.00 0.00 0.00 0.00 6.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.75 5.27 0.00 1.76 1.61 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.86 5.75 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 1.32 0.00 0.00 79 V 8.35 5.34 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 1.42 0.00 0.00 0.99 0.00 0.00 80 R 7.97 4.96 0.00 1.72 1.86 0.00 3.56 0.00 0.00 3.85 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.38 0.00 81 D 8.11 4.69 0.00 2.65 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 82 E 8.88 4.72 0.00 2.15 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 2.37 2.53 0.00 83 G 8.72 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 84 V 8.02 3.81 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 0.75 0.00 0.00 1.04 0.00 0.00 85 G 8.28 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 I 7.59 4.41 1.88 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 1.46 0.71 0.94 0.00 0.00 87 P 0.00 4.37 0.00 2.17 2.19 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 88 D 7.53 4.71 0.00 2.56 2.45 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 89 I 7.91 3.56 1.80 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 1.60 0.84 0.79 0.00 0.00 90 E 8.11 3.84 0.00 1.91 1.91 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 2.32 2.31 0.00 91 E 8.05 3.76 0.00 2.18 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 1.70 2.07 0.00 92 A 7.33 3.77 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 93 R 6.99 3.78 0.00 1.81 1.87 0.00 2.71 0.00 0.00 2.87 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 94 Q 7.43 4.23 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.62 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 95 P 0.00 4.32 0.00 2.11 2.11 0.00 4.02 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 96 L 8.71 4.20 0.00 1.94 1.88 0.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 97 F 7.95 4.37 0.00 3.05 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 98 T 7.06 4.16 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 1.07 0.00 0.00 99 T 8.01 3.92 4.13 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 0.00 0.00 0.00 1.19 0.00 0.00 100 K 7.57 4.34 0.00 1.77 1.76 0.00 1.68 0.00 0.00 1.92 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.60 7.81 101 P 0.00 4.52 0.00 2.17 2.23 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 102 E 8.16 4.06 0.00 1.95 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 2.30 2.37 0.00 103 L 7.88 4.54 0.00 1.62 1.66 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 104 E 7.73 3.80 0.00 2.07 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 2.25 2.25 0.00 105 R 7.98 4.29 0.00 1.84 1.84 0.00 3.46 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.75 0.00 106 S 8.63 4.39 0.00 3.98 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 0.00 107 G 7.20 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 *109 G 7.41 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 F 7.61 4.35 0.00 3.09 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 0.00 111 T 8.07 4.47 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 1.26 0.00 0.00 112 I 7.22 3.58 1.80 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 1.08 0.89 0.17 0.00 0.00 *114 E 8.27 4.33 0.00 2.19 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 0.00 2.50 2.30 0.00 115 N 7.85 4.55 0.00 2.63 3.07 0.00 0.00 7.01 7.30 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 0.00 116 F 7.89 5.07 0.00 2.99 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 *118 D 7.97 4.74 0.00 2.74 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 0.00 119 E 7.76 4.87 0.00 2.06 1.75 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 2.42 2.38 0.00 120 V 8.34 4.62 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 0.91 0.00 0.00 0.97 0.00 0.00 121 I 9.17 4.46 2.14 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.87 0.97 0.00 0.00 122 V 8.49 4.70 2.02 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 0.87 0.00 0.00 0.97 0.00 0.00 123 E 8.86 4.76 0.00 1.95 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 2.24 2.24 0.00 124 S 7.97 5.06 0.00 3.84 3.68 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 0.00 0.00 0.00 0.00 125 E 8.05 4.82 0.00 1.68 1.72 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 2.13 2.09 0.00 126 V 8.48 3.69 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 0.88 0.00 0.00 0.92 0.00 0.00 127 N 8.78 4.16 0.00 2.87 2.89 0.00 0.00 6.80 7.61 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 0.00 128 K 8.33 4.18 0.00 1.63 1.76 0.00 1.95 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.25 7.81 129 G 6.66 4.57 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 0.00 0.00 0.00 130 T 7.66 5.08 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 1.29 0.00 0.00 131 T 9.23 5.32 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 1.28 0.00 0.00 132 V 8.52 4.69 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 1.07 0.00 0.00 1.05 0.00 0.00 133 Y 9.39 5.20 0.00 3.13 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 0.00 134 L 8.73 4.98 0.00 1.46 1.39 0.92 0.89 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 0.00 135 K 7.93 4.89 0.00 1.62 1.59 0.00 2.09 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.43 7.81 136 K 8.38 4.58 0.00 1.82 1.53 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.30 1.20 7.81 * Residues marked with a * may have inaccurate shift predictions.