NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4488 8.1927 115.5571 58.0405 64.3234 171.9988 1 L 4.3007 8.4661 128.7997 54.4140 42.0286 172.7265 2 E 4.4814 9.3929 127.2867 58.5422 31.0311 176.3474 3 S 4.6477 7.5260 111.1466 57.2571 66.3077 173.7193 4 V 4.8087 8.2289 120.5117 61.1378 34.3336 174.6499 5 K 4.5942 8.9130 126.1357 54.6415 35.4112 175.8791 6 A 5.1283 8.3333 126.2772 49.4855 21.1842 176.0183 *8 W 4.6306 8.3455 117.9407 56.7878 30.7019 176.3599 9 G 4.3994 8.5513 109.8616 45.3675 0.0000 173.0645 10 V 3.8625 8.4259 123.1822 63.1649 32.5621 176.4846 11 V 4.7992 8.4604 128.4583 61.4690 33.4152 174.6587 12 T 4.7653 8.4474 118.9784 59.5889 71.2875 173.3645 13 D 4.4967 8.6108 119.5944 55.4877 40.1637 176.9291 14 S 4.6417 8.0034 114.1926 59.3995 65.3056 173.9326 15 Q 4.9236 8.3993 120.3666 54.6120 33.0416 173.6405 16 T 4.8811 8.6891 121.5838 61.7271 71.5416 172.5659 17 E 5.1598 8.5303 127.1894 54.4857 32.4900 174.3839 18 I 4.6623 8.8490 127.4212 59.4129 40.3396 174.5119 19 V 4.7457 8.2243 125.6705 61.0940 33.8784 173.7203 20 A 4.7971 8.7989 130.2588 50.3651 21.4419 175.4727 21 L 4.9583 9.0166 122.6278 53.0407 44.3461 175.3886 22 A 5.0615 8.9416 127.6326 49.9217 21.2570 175.4483 23 K 4.4796 8.8885 125.6041 56.1827 33.3029 175.9318 24 V 4.8508 8.8729 121.8688 59.5032 34.6421 174.7607 25 R 4.9212 8.7907 125.4960 54.4826 32.0312 174.7886 26 N 4.5437 9.1190 126.1335 53.0165 39.7870 174.7640 27 E 4.6317 8.7850 125.0530 56.1098 29.9650 175.1415 28 D 4.8265 8.0584 119.1529 52.9105 43.0781 176.4288 29 V 4.0961 8.1327 112.7145 61.5736 32.0789 176.3402 30 V 4.6857 7.3083 112.5934 58.4714 34.7005 173.5668 31 P 4.7032 0.0000 0.0000 62.8664 32.5896 175.5426 32 I 4.3318 8.3886 122.7129 60.3641 39.2081 174.7482 33 V 4.6705 8.1821 126.1785 61.2380 33.9510 174.5846 34 V 4.7798 8.8571 129.6151 61.5513 31.4706 176.1813 35 S 4.1905 9.2538 124.7120 59.9642 64.4173 174.4526 36 G 4.0262 7.6525 106.3980 46.6681 0.0000 170.3704 37 Y 5.2728 6.1524 115.3813 56.2749 41.6166 173.1597 38 H 5.4568 9.4010 122.2886 54.9877 32.2627 173.1656 39 Y 5.6779 8.7065 122.6630 55.5259 41.6653 174.2339 40 T 5.1138 9.1835 110.7809 60.1465 72.9126 172.6311 41 I 4.9190 8.7380 124.3707 59.9743 40.7137 174.6613 42 E 5.4332 9.0390 127.3411 53.1851 33.3138 176.0787 *44 N 4.6780 8.4703 115.3459 53.8501 39.7710 175.9503 45 G 3.9104 8.5860 104.6768 45.6046 0.0000 174.0234 46 V 4.0567 7.5036 120.3591 61.3437 32.2551 175.0157 47 K 4.4363 8.4213 129.1334 55.8307 30.6461 176.1309 48 V 4.1085 8.2660 118.8774 62.5511 32.4853 176.2834 49 A 4.6349 7.5132 121.5098 50.6136 22.8551 175.1192 50 D 4.4643 8.4178 119.1252 53.9334 42.7839 174.4380 51 G 3.8691 7.8235 112.5255 44.5613 0.0000 168.6762 52 Y 4.9696 8.3120 120.8716 55.3825 41.4410 174.0007 53 E 4.3375 7.6323 127.4459 54.4585 31.9620 174.2151 54 N 5.0794 8.8033 126.6535 52.2396 38.8214 173.3440 55 S 4.5572 8.3265 117.9703 55.5833 64.5074 171.3919 56 P 4.8002 0.0000 0.0000 62.8039 32.2512 175.9573 57 V 4.5403 8.8370 123.7247 61.3790 34.8997 174.1409 58 T 4.9783 8.6113 117.7504 60.5732 70.9306 174.0149 59 V 4.3595 8.6027 124.3493 60.9209 33.8119 175.2364 60 K 4.5276 8.6143 127.2904 55.4021 33.4587 174.9592 61 P 4.3038 0.0000 0.0000 64.2162 31.6411 176.7339 62 A 3.7695 8.2964 123.1452 52.7645 17.3850 177.4356 63 S 4.8572 7.8016 112.3389 57.2008 65.4924 172.9518 64 A 5.2511 8.3858 122.7207 50.7060 21.4218 176.1781 65 T 4.6206 8.9292 117.3355 62.1137 73.2887 173.3057 66 T 4.6245 8.5374 122.6968 63.1056 69.3947 174.0732 67 L 4.3827 9.1643 127.7212 53.0205 44.0214 175.4085 68 K 4.6727 7.9784 123.6540 54.5229 34.3015 174.9334 69 F 4.1313 8.7944 126.5707 55.5560 41.4233 174.4703 70 S 4.7754 9.3406 120.6361 57.0539 63.1836 173.4669 71 L 3.4680 8.8845 129.1803 52.9892 43.1162 175.7359 72 R 5.0983 8.0510 123.8628 54.4381 32.3738 176.0520 73 L 4.7605 8.9698 123.9353 52.6978 43.7544 175.6229 74 N 4.7755 8.8524 123.5986 53.4114 39.6370 175.4904 75 N 4.5911 8.5513 123.0611 56.0382 38.3618 177.4655 76 S 4.1300 8.0969 113.9324 61.3806 62.9043 175.6501 77 F 4.3983 7.9818 120.4361 59.9961 38.5803 177.6847 78 L 4.4358 7.8307 117.8614 57.4788 41.2574 179.1524 79 R 4.2837 8.3410 117.2168 57.8796 30.1744 177.5015 80 E 4.5290 7.7209 115.0365 56.5534 30.5432 177.4734 81 W 4.4154 8.1557 130.8534 60.2973 30.7625 177.2759 82 W 3.3205 8.4347 127.9464 60.2742 29.9153 177.5800 83 V 3.3177 7.8242 117.6720 66.4405 30.9702 178.0619 84 T 3.8069 7.6365 109.1086 64.6874 68.4569 175.9676 85 H 3.7927 7.2795 120.8214 59.0380 29.8965 177.1927 86 I 3.2615 6.5025 114.2742 63.6452 37.1046 177.8358 87 A 3.9340 7.4721 121.6730 54.3458 16.7526 178.0398 88 N 4.7535 7.7945 113.9215 52.8181 39.3810 175.4108 89 G 3.7388 8.0022 106.8345 47.2242 0.0000 174.0768 90 E 3.1791 7.4968 113.7862 57.1618 27.6047 174.8974 91 K 4.9675 7.1472 115.2309 54.8482 35.9248 177.4593 92 T 4.8857 8.6165 120.6822 61.6547 72.3669 172.7115 93 K 4.8933 9.2714 128.4661 55.4600 33.2920 175.5631 94 I 4.7806 8.8526 128.9124 59.6470 39.9267 174.7597 95 R 4.9615 9.2433 126.2378 54.3860 32.9943 174.7277 96 V 4.9058 8.9356 124.5327 60.9306 34.2436 174.0579 97 A 5.2390 9.1526 129.2991 50.2007 22.1571 174.5253 98 I 4.7624 8.6498 123.4477 59.4967 40.1630 174.8593 99 K 5.4327 9.9263 129.9286 52.8250 32.5575 172.8082 100 P 5.0280 0.0000 0.0000 62.6730 33.5155 175.9298 101 T 4.6989 9.2156 119.8745 62.7511 69.6941 173.5934 102 I 4.8193 8.5742 128.7074 59.7318 39.1063 174.8407 103 E 4.7791 9.5425 127.6311 54.8468 31.5033 175.5245 104 I 4.5954 8.5969 126.7443 61.4713 39.9202 173.3705 105 G 3.8706 9.2320 118.0586 44.6586 0.0000 173.4477 *107 R 4.3287 9.0089 123.9776 55.8448 32.4603 175.6637 108 D 4.5565 7.8537 118.2901 54.1005 41.4389 175.4817 109 V 5.0836 8.0933 115.5411 59.6887 36.4647 174.3769 110 E 4.6322 9.1822 119.8116 54.7502 33.0840 176.3565 111 V 5.4652 8.3649 116.6256 57.8414 31.2308 173.6155 112 P 4.1826 0.0000 0.0000 62.3119 32.5305 176.2269 113 V 4.3469 7.7725 119.9665 61.3162 33.3748 174.6448 114 F 4.6853 8.8960 127.6740 56.1934 40.2953 174.8496 115 L 5.2503 8.5388 123.9474 53.0416 43.9814 176.2347 116 R 4.5561 9.0640 122.7748 54.8151 33.1357 173.4500 117 E 5.3639 8.9174 125.8817 54.9603 32.0130 175.1780 118 S 4.7677 9.0207 117.1090 57.4952 67.3696 172.0174 119 E 5.4198 8.6065 119.5745 54.8502 32.5444 174.0228 120 F 5.3211 9.3269 120.2418 55.4924 41.7228 173.3333 121 T 5.1951 8.8537 110.7194 60.2193 71.2308 173.0737 122 T 4.8517 8.5340 112.9351 60.0877 71.9120 174.4825 123 K 4.6601 8.2781 120.3718 55.0905 32.9295 176.0801 124 L 4.2601 8.9759 121.7230 56.5291 42.5604 177.5505 125 L 4.3133 7.8385 121.8175 54.7846 41.8021 176.1542 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 0 S 8.19 4.45 0.00 4.01 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 1 L 8.47 4.30 0.00 1.66 1.51 0.81 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 2 E 9.39 4.48 0.00 1.88 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 2.28 2.37 0.00 3 S 7.53 4.65 0.00 3.81 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 4 V 8.23 4.81 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 0.73 0.00 0.00 0.80 0.00 0.00 5 K 8.91 4.59 0.00 1.70 1.58 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.35 7.81 6 A 8.33 5.13 1.01 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 *8 W 8.35 4.63 0.00 3.30 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 9 G 8.55 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 0.00 0.00 0.00 0.00 10 V 8.43 3.86 2.10 0.00 0.00 0.00 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 0.94 0.00 0.00 11 V 8.46 4.80 2.00 0.00 0.00 0.00 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 1.02 0.00 0.00 12 T 8.45 4.77 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 13 D 8.61 4.50 0.00 2.79 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 14 S 8.00 4.64 0.00 3.93 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 15 Q 8.40 4.92 0.00 2.15 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 16 T 8.69 4.88 4.32 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 1.34 0.00 0.00 17 E 8.53 5.16 0.00 2.03 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 2.21 2.25 0.00 18 I 8.85 4.66 1.73 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 0.70 0.52 0.59 0.00 0.00 19 V 8.22 4.75 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 0.93 0.00 0.00 0.96 0.00 0.00 20 A 8.80 4.80 1.19 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 0.00 0.00 21 L 9.02 4.96 0.00 1.49 1.52 0.87 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.94 5.06 1.29 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 0.00 0.00 0.00 23 K 8.89 4.48 0.00 1.86 1.68 0.00 1.44 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.43 7.81 24 V 8.87 4.85 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 0.61 0.00 0.00 0.99 0.00 0.00 25 R 8.79 4.92 0.00 1.74 1.79 0.00 3.36 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 26 N 9.12 4.54 0.00 2.81 2.82 0.00 0.00 6.70 8.46 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 27 E 8.79 4.63 0.00 1.99 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 2.23 2.43 0.00 28 D 8.06 4.83 0.00 2.65 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.13 4.10 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 0.78 0.00 0.00 0.94 0.00 0.00 30 V 7.31 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 0.75 0.00 0.00 0.94 0.00 0.00 31 P 0.00 4.70 0.00 2.08 2.05 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 32 I 8.39 4.33 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.73 0.95 0.00 0.00 33 V 8.18 4.67 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 0.96 0.00 0.00 0.95 0.00 0.00 34 V 8.86 4.78 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 1.20 0.00 0.00 1.00 0.00 0.00 35 S 9.25 4.19 0.00 4.05 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 0.00 36 G 7.65 4.03 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 0.00 37 Y 6.15 5.27 0.00 3.04 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 38 H 9.40 5.46 0.00 3.62 3.34 0.00 5.72 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 8.71 5.68 0.00 2.99 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 40 T 9.18 5.11 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 1.30 0.00 0.00 41 I 8.74 4.92 1.90 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 1.26 0.77 0.89 0.00 0.00 42 E 9.04 5.43 0.00 1.86 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 2.21 2.09 0.00 *44 N 8.47 4.68 0.00 2.91 2.96 0.00 0.00 6.85 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 45 G 8.59 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 46 V 7.50 4.06 2.33 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 1.29 0.00 0.00 1.11 0.00 0.00 47 K 8.42 4.44 0.00 1.66 1.44 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.16 1.34 7.81 48 V 8.27 4.11 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 0.96 0.00 0.00 0.94 0.00 0.00 49 A 7.51 4.63 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.42 4.46 0.00 2.47 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 0.00 0.00 0.00 0.00 51 G 7.82 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 52 Y 8.31 4.97 0.00 2.91 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 53 E 7.63 4.34 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 2.13 2.33 0.00 54 N 8.80 5.08 0.00 2.94 2.79 0.00 0.00 6.92 7.63 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 55 S 8.33 4.56 0.00 3.99 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 56 P 0.00 4.80 0.00 1.98 2.06 0.00 3.64 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 57 V 8.84 4.54 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 1.00 0.00 0.00 0.88 0.00 0.00 58 T 8.61 4.98 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 1.22 0.00 0.00 59 V 8.60 4.36 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 0.98 0.00 0.00 0.93 0.00 0.00 60 K 8.61 4.53 0.00 1.75 1.71 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.53 1.47 7.81 61 P 0.00 4.30 0.00 2.04 2.12 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 62 A 8.30 3.77 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 63 S 7.80 4.86 0.00 4.02 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 64 A 8.39 5.25 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.93 4.62 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 1.16 0.00 0.00 66 T 8.54 4.62 4.18 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 0.00 0.00 0.00 1.14 0.00 0.00 67 L 9.16 4.38 0.00 1.23 0.92 0.96 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.98 4.67 0.00 1.57 1.47 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.17 1.32 7.81 69 F 8.79 4.13 0.00 2.64 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 9.34 4.78 0.00 3.83 3.85 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 71 L 8.88 3.47 0.00 1.39 1.28 0.79 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.05 5.10 0.00 1.81 1.94 0.00 3.21 0.00 0.00 3.49 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 73 L 8.97 4.76 0.00 1.64 1.65 1.06 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 74 N 8.85 4.78 0.00 2.88 2.89 0.00 0.00 7.19 6.71 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 75 N 8.55 4.59 0.00 2.96 2.91 0.00 0.00 6.21 7.45 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 76 S 8.10 4.13 0.00 3.87 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 77 F 7.98 4.40 0.00 3.39 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 78 L 7.83 4.44 0.00 1.94 1.93 1.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 79 R 8.34 4.28 0.00 2.01 2.08 0.00 3.18 0.00 0.00 3.30 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.91 0.00 80 E 7.72 4.53 0.00 2.34 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 0.00 2.47 2.57 0.00 81 W 8.16 4.42 0.00 3.53 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 82 W 8.43 3.32 0.00 3.29 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 83 V 7.82 3.32 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 0.96 0.00 0.00 0.95 0.00 0.00 84 T 7.64 3.81 4.22 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 1.28 0.00 0.00 85 H 7.28 3.79 0.00 2.21 2.32 0.00 5.87 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 I 6.50 3.26 1.51 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.23 0.05 0.00 0.00 87 A 7.47 3.93 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 88 N 7.79 4.75 0.00 2.85 2.72 0.00 0.00 6.84 8.04 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 89 G 8.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 7.50 3.18 0.00 2.06 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 2.02 2.06 0.00 91 K 7.15 4.97 0.00 1.61 1.59 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.51 7.81 92 T 8.62 4.89 3.80 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 1.55 0.00 0.00 93 K 9.27 4.89 0.00 1.80 1.76 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.60 7.81 94 I 8.85 4.78 1.94 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 1.32 0.84 0.91 0.00 0.00 95 R 9.24 4.96 0.00 1.69 1.82 0.00 3.09 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 96 V 8.94 4.91 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 1.02 0.00 0.00 0.90 0.00 0.00 97 A 9.15 5.24 1.24 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 0.00 0.00 0.00 98 I 8.65 4.76 1.64 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.68 0.36 0.00 0.00 99 K 9.93 5.43 0.00 1.83 1.89 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.34 7.81 100 P 0.00 5.03 0.00 2.36 2.41 0.00 4.18 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 2.33 2.24 0.00 101 T 9.22 4.70 4.43 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 1.32 0.00 0.00 102 I 8.57 4.82 2.06 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 1.34 0.78 0.97 0.00 0.00 103 E 9.54 4.78 0.00 1.89 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 2.28 2.32 0.00 104 I 8.60 4.60 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.64 0.93 0.00 0.00 105 G 9.23 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 *107 R 9.01 4.33 0.00 1.84 2.05 0.00 3.37 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 108 D 7.85 4.56 0.00 2.72 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 0.00 109 V 8.09 5.08 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 0.76 0.00 0.00 0.95 0.00 0.00 110 E 9.18 4.63 0.00 1.90 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 2.23 2.28 0.00 111 V 8.36 5.47 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 0.99 0.00 0.00 0.94 0.00 0.00 112 P 0.00 4.18 0.00 1.53 1.98 0.00 3.87 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 2.13 2.00 0.00 113 V 7.77 4.35 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 0.80 0.00 0.00 0.87 0.00 0.00 114 F 8.90 4.69 0.00 2.92 2.88 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 0.00 115 L 8.54 5.25 0.00 1.52 1.57 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 116 R 9.06 4.56 0.00 1.76 1.69 0.00 3.17 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.69 0.00 117 E 8.92 5.36 0.00 1.88 1.85 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 2.23 2.28 0.00 118 S 9.02 4.77 0.00 3.87 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 0.00 119 E 8.61 5.42 0.00 1.99 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 2.22 2.47 0.00 120 F 9.33 5.32 0.00 3.25 3.09 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 0.00 121 T 8.85 5.20 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 1.21 0.00 0.00 122 T 8.53 4.85 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 1.63 0.00 0.00 123 K 8.28 4.66 0.00 1.75 1.76 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.35 1.47 7.81 124 L 8.98 4.26 0.00 1.79 1.83 1.26 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 125 L 7.84 4.31 0.00 1.64 1.59 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.