NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8061 8.3393 109.7406 45.6905 0.0000 176.6697 *2 T 4.6592 8.2991 116.3978 60.9969 69.5257 171.4771 *4 F 4.5153 8.2512 122.2571 58.6389 40.8370 174.4803 5 L 4.9432 8.5130 129.0162 54.3031 44.2847 175.0359 6 H 5.3030 9.1536 124.9197 54.2037 33.1656 171.9152 7 V 4.7799 9.1894 126.7942 61.1625 34.3588 174.7130 8 V 4.6146 8.6697 127.4761 60.8149 35.4856 173.2647 *11 E 4.2536 8.4133 121.2311 56.0975 30.6030 174.6955 12 F 5.3077 8.5502 124.3254 55.7388 41.6804 175.3525 13 D 4.5083 8.9629 121.0232 54.8007 41.2683 177.9869 14 D 4.4282 8.8737 121.1366 57.1974 41.0771 177.6283 15 G 3.9400 7.8715 106.0456 44.9785 0.0000 173.5685 16 I 3.3505 6.7932 111.9910 60.9166 37.8350 175.7964 17 D 4.5608 8.2566 121.8421 53.6068 41.7377 177.1458 18 A 3.9965 8.8168 123.9874 55.4893 18.5338 179.0392 19 G 4.0697 8.0331 102.4220 45.6218 0.0000 174.8505 20 F 4.1786 8.3506 124.3072 61.6625 39.1209 177.6448 21 F 4.0653 7.8969 116.1476 60.1015 38.7919 177.6353 22 R 3.9636 8.0211 118.3870 59.5907 29.8954 178.4690 23 T 3.8143 7.7893 115.4958 66.3408 68.2910 176.5101 24 V 3.5686 7.6471 120.3026 66.4439 31.3343 177.8852 25 D 4.4103 8.0561 118.2256 57.2463 40.5779 178.7608 26 E 3.8349 8.0968 119.0930 59.6638 29.2726 178.8866 27 Y 3.9798 7.6555 115.4003 61.0517 37.9535 178.7390 28 V 3.6985 8.0083 118.2007 65.8251 31.9602 177.5557 29 A 4.1988 8.2768 120.8536 55.0875 18.0978 180.5963 30 R 3.6186 7.8311 114.5042 57.1599 29.8700 178.2803 *32 K 4.2893 8.0249 118.0890 55.9493 34.0606 177.6266 33 R 4.1122 7.9233 117.1681 58.2735 30.1596 177.2374 34 E 4.4718 7.9129 115.5909 56.6063 31.0420 175.4442 35 C 4.9607 8.0141 114.7685 55.2500 42.3451 172.7421 36 D 4.9373 8.5815 122.4403 54.0167 42.7430 176.6913 37 G 3.9887 8.7772 107.7326 46.0423 0.0000 172.8447 38 L 4.2912 7.8193 119.4020 53.9975 42.3321 176.6275 39 L 4.4466 8.8653 124.5154 56.2428 43.0224 176.8443 40 L 4.6181 7.3982 118.6833 54.0991 45.7913 174.0884 41 Y 4.7771 8.2707 125.4531 56.9647 41.6441 173.1541 42 H 5.0398 8.9703 126.5217 54.5363 34.0029 171.3747 43 F 5.2578 8.7241 127.3029 56.5952 41.2553 174.3799 44 G 3.8853 8.0175 111.8735 44.8952 0.0000 171.3985 45 E 4.2270 8.3347 121.1105 55.8791 30.3945 175.4709 46 N 4.6033 8.9422 126.1000 53.1160 39.4128 175.1265 47 V 4.1260 8.3912 118.0542 60.9209 32.5329 176.0397 48 A 4.1284 8.0615 123.6611 51.7562 18.7801 178.1079 49 A 4.1329 8.5498 124.3287 54.8232 18.9520 178.4940 50 R 4.5517 7.6058 114.9266 56.1753 30.5385 177.6089 51 S 4.2821 8.0289 113.5846 59.1409 63.9235 174.9001 52 Q 3.2548 9.0456 118.1643 56.9203 25.8635 174.4111 53 G 3.7014 8.1834 104.3184 45.7844 0.0000 174.4349 54 Y 4.3372 7.5424 118.2012 57.0434 36.9948 175.3946 55 T 4.2706 8.3600 116.3698 63.9020 70.3072 174.0048 56 H 5.3842 8.1216 116.9368 54.4060 33.3630 172.4178 57 A 5.1212 8.9683 121.3161 50.7386 23.2130 175.1011 58 T 5.1193 9.0936 111.4330 60.4674 70.9651 173.8965 59 S 5.2158 8.6739 120.4764 56.5803 66.1918 173.0686 60 S 4.8030 8.5435 115.5174 57.3799 66.6186 173.0676 61 A 5.1596 8.3640 122.3282 50.5341 22.4549 175.2434 62 F 5.1595 9.0762 120.0144 55.2876 42.0518 175.8181 63 V 3.9304 8.3272 121.1205 66.3471 32.1119 175.2257 64 D 4.5738 7.8369 117.0581 51.3217 41.8446 175.7537 65 A 3.0550 8.5087 119.9148 55.0735 18.0686 179.4191 66 A 3.8817 7.9510 118.4882 55.2380 18.4094 179.6154 67 A 3.9144 8.3252 119.3055 55.3915 18.5082 179.2665 68 H 2.6894 7.4538 116.2378 59.0475 29.5131 177.0703 69 D 4.1377 7.8935 119.6973 57.3805 40.7751 178.5023 70 A 4.0749 7.9479 121.1715 55.0046 18.3260 178.9490 71 Y 4.0372 7.8857 118.1562 61.1330 38.6373 178.2835 72 Q 3.7405 7.7359 117.4871 58.3843 28.8205 178.7107 73 V 4.2690 6.9128 110.1428 59.9510 32.3783 175.5092 74 C 4.3659 7.7000 121.0833 55.8326 45.6774 172.1216 75 P 4.0971 0.0000 0.0000 65.8959 30.8073 178.5170 76 A 4.0445 7.8868 117.8279 55.0925 18.3645 178.7634 77 H 4.2039 7.8908 116.0263 59.3296 30.2787 177.0900 78 V 3.5499 7.9177 120.1296 65.6285 31.2784 178.6894 79 A 4.2867 8.0864 121.6143 52.8791 17.9580 180.0176 *81 K 4.1560 8.0639 123.7994 56.1057 34.0766 180.0218 82 A 4.1032 7.9515 121.5873 55.1037 18.3095 178.1779 83 F 4.3520 7.7936 114.8938 59.2594 39.3035 176.1787 *85 G 4.0223 7.9976 108.5139 45.4195 0.0000 173.6934 86 P 4.3597 0.0000 0.0000 63.7089 31.5599 177.3077 87 R 4.4148 7.6443 115.7303 55.2809 30.8699 175.2312 88 I 4.5834 7.5149 120.2286 60.4012 37.4027 175.7244 89 K 4.2438 9.1236 129.7891 58.6887 32.7813 177.2526 90 R 4.9837 7.7113 116.1336 54.5863 34.1609 175.2408 91 V 4.6705 8.4599 120.9727 60.0741 34.5554 174.8752 92 V 4.4776 7.8670 120.3720 59.9314 34.3150 174.4718 93 V 4.6696 8.2230 121.0602 61.2865 34.7754 173.6805 94 Y 4.7005 9.0964 128.7273 55.9498 40.8191 173.8573 95 D 4.7898 7.5383 125.8597 52.3566 44.5586 175.3185 96 G 3.7325 6.8747 105.7344 45.7779 0.0000 172.0675 97 E 4.6191 8.6587 123.4605 55.7845 30.5793 176.0351 98 V 4.6665 8.1499 118.1415 58.7064 36.8863 172.9284 99 P 4.3844 0.0000 0.0000 62.5785 31.6784 176.8001 100 A 4.1771 8.4584 125.0236 52.4743 19.0997 177.5543 101 I 4.0557 8.1432 119.6185 61.4681 37.4365 176.0310 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 G 8.34 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 0.00 0.00 0.00 *2 T 8.30 4.66 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 1.24 0.00 0.00 *4 F 8.25 4.52 0.00 3.29 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 5 L 8.51 4.94 0.00 1.75 1.57 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 6 H 9.15 5.30 0.00 3.47 3.37 0.00 5.82 0.00 0.00 0.00 0.00 6.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 9.19 4.78 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 0.96 0.00 0.00 8 V 8.67 4.61 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 1.04 0.00 0.00 0.93 0.00 0.00 *11 E 8.41 4.25 0.00 2.02 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 2.24 2.37 0.00 12 F 8.55 5.31 0.00 3.08 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 13 D 8.96 4.51 0.00 2.47 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 14 D 8.87 4.43 0.00 2.65 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 15 G 7.87 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 0.00 0.00 0.00 16 I 6.79 3.35 0.97 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.46 0.15 0.00 0.00 17 D 8.26 4.56 0.00 2.78 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 18 A 8.82 4.00 1.32 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 0.00 0.00 0.00 19 G 8.03 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 0.00 0.00 0.00 20 F 8.35 4.18 0.00 2.95 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 21 F 7.90 4.07 0.00 3.23 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 22 R 8.02 3.96 0.00 1.93 2.06 0.00 3.18 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 23 T 7.79 3.81 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 0.45 0.00 0.00 24 V 7.65 3.57 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 0.34 0.00 0.00 0.13 0.00 0.00 25 D 8.06 4.41 0.00 3.00 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 26 E 8.10 3.83 0.00 1.88 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 2.21 2.45 0.00 27 Y 7.66 3.98 0.00 2.99 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 28 V 8.01 3.70 2.29 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 0.95 0.00 0.00 1.13 0.00 0.00 29 A 8.28 4.20 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 30 R 7.83 3.62 0.00 1.85 2.01 0.00 3.25 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 *32 K 8.02 4.29 0.00 1.97 1.91 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.25 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.58 7.81 33 R 7.92 4.11 0.00 2.00 1.99 0.00 3.11 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 34 E 7.91 4.47 0.00 1.91 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 0.00 2.54 2.39 0.00 35 C 8.01 4.96 0.00 3.08 3.14 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 36 D 8.58 4.94 0.00 2.70 2.62 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 0.00 0.00 0.00 37 G 8.78 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 0.00 0.00 0.00 38 L 7.82 4.29 0.00 1.66 1.57 0.96 0.67 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 39 L 8.87 4.45 0.00 1.54 1.68 0.99 -0.05 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 40 L 7.40 4.62 0.00 1.67 1.34 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 8.27 4.78 0.00 2.99 2.84 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 42 H 8.97 5.04 0.00 3.23 3.02 0.00 5.79 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 43 F 8.72 5.26 0.00 3.18 3.02 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 44 G 8.02 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 0.00 0.00 0.00 45 E 8.33 4.23 0.00 1.79 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 1.98 0.00 46 N 8.94 4.60 0.00 2.70 2.85 0.00 0.00 7.10 8.13 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 47 V 8.39 4.13 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 0.77 0.00 0.00 0.90 0.00 0.00 48 A 8.06 4.13 1.23 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 0.00 0.00 0.00 49 A 8.55 4.13 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 50 R 7.61 4.55 0.00 1.80 1.94 0.00 3.20 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 51 S 8.03 4.28 0.00 4.23 4.35 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.05 3.25 0.00 2.44 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.93 0.00 0.00 0.00 0.00 0.00 2.50 2.38 0.00 53 G 8.18 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 54 Y 7.54 4.34 0.00 3.12 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 55 T 8.36 4.27 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 1.27 0.00 0.00 56 H 8.12 5.38 0.00 3.27 3.24 0.00 5.86 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.97 5.12 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 58 T 9.09 5.12 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 1.61 0.00 0.00 59 S 8.67 5.22 0.00 3.79 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 60 S 8.54 4.80 0.00 3.66 3.49 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 61 A 8.36 5.16 1.16 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 62 F 9.08 5.16 0.00 2.96 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 63 V 8.33 3.93 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 0.80 0.00 0.00 0.99 0.00 0.00 64 D 7.84 4.57 0.00 2.91 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 65 A 8.51 3.05 1.15 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 0.00 0.00 66 A 7.95 3.88 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 67 A 8.33 3.91 1.50 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 0.00 0.00 68 H 7.45 2.69 0.00 2.07 2.45 0.00 5.60 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 69 D 7.89 4.14 0.00 2.69 2.60 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 0.00 0.00 0.00 0.00 70 A 7.95 4.07 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.89 4.04 0.00 3.14 2.89 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 72 Q 7.74 3.74 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 73 V 6.91 4.27 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 0.72 0.00 0.00 0.92 0.00 0.00 74 C 7.70 4.37 0.00 2.97 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 75 P 0.00 4.10 0.00 2.18 2.08 0.00 3.64 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 2.10 2.14 0.00 76 A 7.89 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 7.89 4.20 0.00 2.79 3.25 0.00 5.94 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 7.92 3.55 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 0.89 0.00 0.00 0.91 0.00 0.00 79 A 8.09 4.29 1.43 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 0.00 0.00 *81 K 8.06 4.16 0.00 1.81 1.78 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 82 A 7.95 4.10 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 83 F 7.79 4.35 0.00 2.30 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 *85 G 8.00 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 0.00 0.00 0.00 86 P 0.00 4.36 0.00 1.96 2.07 0.00 3.76 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 1.96 2.07 0.00 87 R 7.64 4.41 0.00 1.75 1.54 0.00 3.16 0.00 0.00 2.97 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.19 0.00 88 I 7.51 4.58 2.04 0.00 0.00 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 1.17 0.80 0.98 0.00 0.00 89 K 9.12 4.24 0.00 1.87 1.93 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.40 7.81 90 R 7.71 4.98 0.00 1.56 1.82 0.00 3.15 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 91 V 8.46 4.67 2.13 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 0.81 0.00 0.00 0.97 0.00 0.00 92 V 7.87 4.48 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 -0.03 0.00 0.00 0.87 0.00 0.00 93 V 8.22 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 0.85 0.00 0.00 0.97 0.00 0.00 94 Y 9.10 4.70 0.00 3.04 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 95 D 7.54 4.79 0.00 2.39 2.13 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 96 G 6.87 3.73 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 0.00 0.00 0.00 97 E 8.66 4.62 0.00 2.29 1.88 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 2.28 1.91 0.00 98 V 8.15 4.67 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 0.94 0.00 0.00 99 P 0.00 4.38 0.00 2.04 2.00 0.00 3.68 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 2.10 0.00 100 A 8.46 4.18 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 0.00 101 I 8.14 4.06 1.86 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 1.27 0.65 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.