NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 L 4.0512 8.1693 122.4724 54.7733 43.0909 177.1981 7 N 4.5369 8.2263 124.9433 51.0657 40.4034 173.9294 8 S 4.0671 9.2241 114.4781 61.8460 62.8548 176.8202 9 D 4.4019 8.1062 121.0737 57.5238 40.3365 178.8478 10 L 4.1136 7.7436 117.7649 57.8277 41.9075 178.9308 11 R 4.1038 7.8633 116.9537 59.5216 30.3755 178.9694 12 V 3.7626 7.8862 117.8559 65.5768 31.4892 178.2524 13 F 4.3964 8.2608 117.9813 59.3252 39.4931 176.0302 *15 H 4.3330 8.1391 118.1554 55.8972 31.5710 174.9413 16 H 4.3064 7.6856 115.8816 58.8334 28.4208 177.6538 17 I 3.6342 7.3452 121.5318 64.7420 36.7883 177.8172 18 Y 4.7017 7.3311 118.0814 60.7891 37.7030 178.7415 19 E 4.0566 8.2253 118.8676 59.3466 29.5554 179.1697 20 F 4.2781 8.6995 120.9434 61.3842 38.9493 177.0885 21 E 3.9165 8.4170 118.3489 59.0872 29.0962 178.7288 22 K 4.2759 7.7553 115.8819 56.3353 32.4467 177.2382 23 G 3.6597 7.8620 108.1098 46.2531 0.0000 176.3764 24 V 3.6042 7.6340 122.1963 65.2689 31.6758 175.6623 25 R 4.6410 7.2455 110.5783 55.6135 32.4399 174.3450 26 S 4.7935 8.5279 111.6576 58.8654 64.2234 173.9592 *28 V 3.8113 7.5768 119.8245 62.4576 32.7368 173.6212 29 L 4.7279 8.2510 127.8852 53.0642 43.9020 175.0139 30 A 4.7846 8.8061 128.2036 50.4038 22.0310 174.6658 31 T 4.7890 8.4828 118.8736 62.0484 70.1021 174.1555 32 L 4.9248 8.7311 125.4718 52.1709 46.5570 176.1490 33 A 4.4026 8.4049 123.3004 52.2674 19.3205 178.4197 34 N 4.2067 9.1160 120.3784 56.9247 38.4195 177.7576 35 D 4.4135 8.0120 118.2413 56.7402 41.2822 177.4135 36 D 4.6030 8.1240 118.3134 54.8937 41.1613 178.6451 37 I 3.4958 7.4204 121.0377 63.7913 37.0756 175.9962 38 P 4.1593 0.0000 0.0000 65.9419 31.1439 177.7602 39 Y 3.9143 7.9822 117.0230 60.6439 38.8197 177.6514 40 A 3.6396 7.8677 121.5207 55.2838 18.2435 179.5112 41 E 3.2135 8.2384 117.3072 59.0905 29.3587 179.0794 42 E 3.8168 8.1554 119.5764 59.4586 29.3682 179.1817 43 R 3.7643 7.5982 117.9189 59.0518 29.9431 179.1464 44 L 3.8281 7.6717 118.7303 57.8148 41.6217 179.6900 45 R 4.0374 8.2353 118.5670 59.2799 29.7843 179.1546 46 S 4.1695 8.1083 113.1977 60.8588 62.8457 175.8307 47 R 4.4306 7.1833 118.4101 54.7076 30.5709 175.8665 48 Q 3.5469 7.9193 116.6990 56.9038 26.9009 173.3989 49 I 4.4201 7.9812 119.0243 59.6180 38.1362 174.7835 50 P 4.5907 0.0000 0.0000 63.3748 32.4330 174.8488 51 Y 5.5053 7.8440 119.1505 56.1464 41.5552 173.8954 52 F 5.0880 9.8405 122.3643 56.9380 42.7310 172.8929 53 A 4.8549 8.6054 128.0570 50.7203 20.7261 176.3495 54 Q 4.0941 9.1010 122.7217 53.1334 31.1564 172.5338 55 P 4.5137 0.0000 0.0000 62.9482 32.6961 176.1440 56 T 4.2919 8.5795 120.3736 62.0137 69.2671 173.7262 57 P 4.1440 0.0000 0.0000 65.8496 31.4341 177.6420 58 N 4.8629 7.9714 112.1870 53.4075 38.7001 174.5138 59 T 4.7475 7.6252 114.6768 62.5028 72.8216 173.3437 60 E 4.7963 8.4099 119.2544 56.8858 29.9152 176.2523 61 R 5.1568 7.9035 116.5775 54.7476 34.9434 175.3699 62 T 4.9763 9.0181 117.5480 61.8226 72.9204 172.9695 63 N 4.6674 9.0246 124.1198 52.7656 39.8542 173.9938 64 L 4.7672 9.1413 128.2272 53.3964 43.8001 175.1564 65 F 5.1965 9.4412 126.9182 56.8281 40.5598 175.2103 66 F 5.3763 9.1369 116.9484 55.0505 41.1332 175.5467 67 G 3.3621 7.6971 106.0814 45.4983 0.0000 172.0326 68 C 4.4361 8.0781 114.8964 57.9987 30.2157 174.5641 69 K 3.8938 8.8580 123.1374 59.8275 32.2683 177.7480 70 E 4.1394 8.4072 117.8036 59.8151 29.6660 178.4105 71 C 4.5259 7.6493 116.1515 60.0932 28.0739 175.6349 *73 E 4.0364 8.3108 120.3315 56.4234 31.6349 178.6602 74 A 3.9318 8.0916 120.6862 55.1154 18.4188 179.7223 75 I 2.7605 7.7216 111.3265 63.2778 36.9030 178.4790 76 R 3.2680 6.9589 120.0167 58.5576 29.6393 178.1664 77 L 3.9490 7.4312 117.0301 56.2163 41.8669 177.4335 78 F 4.9471 7.2150 109.4888 56.1669 40.3242 175.3830 79 V 3.8428 7.3080 121.0070 63.8748 31.8626 175.5918 80 S 4.2566 7.1670 115.8354 60.1949 62.7171 174.3838 81 G 3.9688 9.1089 112.6443 45.9851 0.0000 172.7230 82 R 4.7324 7.7124 117.1775 53.7494 33.5738 175.4496 83 S 4.5087 8.2898 114.0609 57.6931 63.2102 175.3671 84 L 4.1954 8.5391 126.6743 57.4486 41.6100 177.6517 85 N 4.7076 8.2031 113.8501 53.3092 37.6924 175.3100 86 S 4.7279 7.7187 112.6432 58.1565 63.3496 174.1761 87 L 4.4921 7.7213 120.7162 54.7218 42.2793 177.4624 88 T 4.1938 8.8716 113.2535 61.0587 70.8181 173.9557 89 P 4.3357 0.0000 0.0000 65.7073 31.2682 178.9250 90 E 4.0693 8.3094 117.0955 59.6101 29.4356 179.0788 91 E 3.8443 8.0911 118.4104 59.2703 29.3714 179.2280 92 D 4.4332 8.5660 119.3607 57.2600 40.8532 178.1529 93 F 4.0208 8.4211 121.4964 61.6653 39.1015 177.3975 94 I 3.9487 7.8459 110.9621 63.8991 37.4435 177.8846 95 I 4.0269 8.0388 121.1831 64.2946 37.3582 178.0069 96 G 3.7179 8.3790 106.3781 47.6981 0.0000 176.3874 97 A 4.1312 8.0629 121.6859 52.0183 18.2035 178.8782 *99 L 3.9419 7.9619 120.1124 55.4895 43.4031 178.0978 100 G 3.9665 7.8525 107.0883 45.1465 0.0000 173.6210 101 Y 4.5282 7.1947 116.9834 57.3763 38.6630 176.1477 102 D 4.4629 8.6340 121.7950 54.7128 43.0176 177.6552 103 I 3.6723 8.3135 127.2561 64.6103 37.2738 178.4227 104 C 4.1681 8.1146 117.1537 62.7107 28.0530 175.6044 105 R 3.8713 8.3814 120.3789 59.9794 29.5816 178.5461 106 Q 3.8631 7.8325 117.3676 58.9199 28.5091 178.4045 107 C 4.5381 8.6894 118.2935 62.7987 28.1672 175.7799 108 E 3.9919 8.5830 121.6393 59.2934 29.2322 179.0165 109 R 4.0765 8.1950 115.7917 58.7186 29.5550 178.2218 110 Y 4.1104 8.2526 120.8432 61.0527 38.9511 177.4708 111 C 4.0082 8.2798 117.7025 62.8495 27.8309 176.2172 112 R 3.9666 8.0638 121.5050 58.9049 29.4599 178.7571 113 R 4.0130 7.9703 117.0373 59.3444 30.1562 178.9984 114 K 3.9931 7.9238 117.5938 58.7378 32.3359 179.1296 115 S 4.3855 8.4917 114.7289 61.0000 63.4639 176.0333 116 N 4.5221 9.1312 118.7027 54.2613 38.2967 175.0717 117 S 4.3110 7.4481 119.2892 58.1919 62.6023 173.2662 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 6 L 8.17 4.05 0.00 1.51 1.63 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.23 4.54 0.00 3.04 2.92 0.00 0.00 5.86 6.76 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 8 S 9.22 4.07 0.00 3.90 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 9 D 8.11 4.40 0.00 2.70 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 10 L 7.74 4.11 0.00 1.74 1.80 0.80 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.86 4.10 0.00 1.81 2.04 0.00 3.18 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 12 V 7.89 3.76 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 0.99 0.00 0.00 0.98 0.00 0.00 13 F 8.26 4.40 0.00 3.12 3.23 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 *15 H 8.14 4.33 0.00 3.15 3.33 0.00 5.73 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 H 7.69 4.31 0.00 3.41 3.41 0.00 5.69 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 17 I 7.35 3.63 1.34 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 -0.36 0.86 0.00 0.00 18 Y 7.33 4.70 0.00 3.04 2.87 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 19 E 8.23 4.06 0.00 2.28 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 0.00 2.36 2.57 0.00 20 F 8.70 4.28 0.00 3.29 3.50 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 21 E 8.42 3.92 0.00 2.32 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 0.00 2.44 2.69 0.00 22 K 7.76 4.28 0.00 1.68 1.84 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.53 7.81 23 G 7.86 3.66 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 24 V 7.63 3.60 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 0.86 0.00 0.00 0.98 0.00 0.00 25 R 7.25 4.64 0.00 2.01 1.89 0.00 3.16 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 26 S 8.53 4.79 0.00 3.84 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 *28 V 7.58 3.81 0.67 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 0.55 0.00 0.00 0.60 0.00 0.00 29 L 8.25 4.73 0.00 1.37 1.35 -0.19 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.81 4.78 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 31 T 8.48 4.79 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 1.16 0.00 0.00 32 L 8.73 4.92 0.00 1.39 1.37 0.35 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.40 4.40 1.21 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 0.00 0.00 34 N 9.12 4.21 0.00 2.69 2.87 0.00 0.00 6.88 7.75 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 35 D 8.01 4.41 0.00 2.60 2.69 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 36 D 8.12 4.60 0.00 2.70 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 37 I 7.42 3.50 1.94 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.75 0.84 0.00 0.00 38 P 0.00 4.16 0.00 2.16 2.12 0.00 3.72 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 2.11 2.16 0.00 39 Y 7.98 3.91 0.00 2.95 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 40 A 7.87 3.64 0.49 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 0.00 0.00 41 E 8.24 3.21 0.00 1.89 1.59 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 1.64 2.18 0.00 42 E 8.16 3.82 0.00 2.02 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 2.31 0.00 43 R 7.60 3.76 0.00 1.96 1.85 0.00 2.94 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.51 0.00 44 L 7.67 3.83 0.00 1.51 1.83 0.66 -0.06 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 45 R 8.24 4.04 0.00 2.07 2.03 0.00 3.23 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.04 0.00 46 S 8.11 4.17 0.00 4.00 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 47 R 7.18 4.43 0.00 1.83 2.04 0.00 3.40 0.00 0.00 3.34 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 48 Q 7.92 3.55 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 49 I 7.98 4.42 1.82 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 1.55 0.77 0.77 0.00 0.00 50 P 0.00 4.59 0.00 2.37 1.99 0.00 3.83 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.15 0.00 51 Y 7.84 5.51 0.00 3.22 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 52 F 9.84 5.09 0.00 3.01 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 53 A 8.61 4.85 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 54 Q 9.10 4.09 0.00 1.76 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 55 P 0.00 4.51 0.00 1.95 1.94 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 56 T 8.58 4.29 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 1.21 0.00 0.00 57 P 0.00 4.14 0.00 2.06 2.16 0.00 3.93 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 2.05 0.00 58 N 7.97 4.86 0.00 2.71 2.82 0.00 0.00 6.65 7.54 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 59 T 7.63 4.75 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 1.20 0.00 0.00 60 E 8.41 4.80 0.00 1.93 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 2.29 2.35 0.00 61 R 7.90 5.16 0.00 1.68 1.72 0.00 3.04 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 62 T 9.02 4.98 4.15 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 1.12 0.00 0.00 63 N 9.02 4.67 0.00 2.72 2.35 0.00 0.00 6.22 6.91 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 64 L 9.14 4.77 0.00 1.58 1.58 0.77 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 65 F 9.44 5.20 0.00 3.33 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 66 F 9.14 5.38 0.00 3.08 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 67 G 7.70 3.36 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 0.00 68 C 8.08 4.44 0.00 3.39 3.25 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 0.00 69 K 8.86 3.89 0.00 1.76 1.91 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.46 7.81 70 E 8.41 4.14 0.00 2.13 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 0.00 2.41 2.41 0.00 71 C 7.65 4.53 0.00 3.02 2.93 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 *73 E 8.31 4.04 0.00 2.16 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 2.22 2.48 0.00 74 A 8.09 3.93 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 75 I 7.72 2.76 1.12 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.13 0.61 0.00 0.00 76 R 6.96 3.27 0.00 1.75 1.64 0.00 2.76 0.00 0.00 2.86 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 77 L 7.43 3.95 0.00 1.87 1.77 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 78 F 7.22 4.95 0.00 3.06 3.05 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 0.00 0.00 0.00 79 V 7.31 3.84 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 1.01 0.00 0.00 0.65 0.00 0.00 80 S 7.17 4.26 0.00 3.76 3.86 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 81 G 9.11 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 0.00 0.00 0.00 82 R 7.71 4.73 0.00 1.85 1.87 0.00 3.22 0.00 0.00 3.49 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 83 S 8.29 4.51 0.00 3.89 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 84 L 8.54 4.20 0.00 1.75 1.81 1.05 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 85 N 8.20 4.71 0.00 2.84 2.96 0.00 0.00 5.92 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 86 S 7.72 4.73 0.00 4.06 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 87 L 7.72 4.49 0.00 1.93 1.74 1.12 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.87 4.19 4.39 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 1.23 0.00 0.00 89 P 0.00 4.34 0.00 2.19 2.09 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 90 E 8.31 4.07 0.00 2.06 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 2.40 2.51 0.00 91 E 8.09 3.84 0.00 2.32 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 0.00 1.89 2.17 0.00 92 D 8.57 4.43 0.00 3.05 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 93 F 8.42 4.02 0.00 3.30 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 94 I 7.85 3.95 1.91 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.81 0.90 0.00 0.00 95 I 8.04 4.03 2.13 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.01 1.03 0.00 0.00 96 G 8.38 3.72 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 97 A 8.06 4.13 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 *99 L 7.96 3.94 0.00 1.21 0.79 0.87 0.96 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 0.00 100 G 7.85 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 0.00 0.00 0.00 101 Y 7.19 4.53 0.00 3.03 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 0.00 102 D 8.63 4.46 0.00 2.80 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 0.00 103 I 8.31 3.67 1.91 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 1.67 0.73 1.06 0.00 0.00 104 C 8.11 4.17 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 R 8.38 3.87 0.00 1.89 2.20 0.00 3.09 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 106 Q 7.83 3.86 0.00 1.58 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.05 0.00 107 C 8.69 4.54 0.00 3.21 3.12 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 0.00 0.00 0.00 108 E 8.58 3.99 0.00 2.04 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 2.32 2.34 0.00 109 R 8.19 4.08 0.00 2.12 2.18 0.00 2.87 0.00 0.00 3.11 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 110 Y 8.25 4.11 0.00 3.47 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 0.00 111 C 8.28 4.01 0.00 3.26 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 R 8.06 3.97 0.00 2.05 2.05 0.00 3.15 0.00 0.00 3.26 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.52 0.00 113 R 7.97 4.01 0.00 1.96 1.90 0.00 3.37 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 114 K 7.92 3.99 0.00 1.58 1.70 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.79 0.81 7.81 115 S 8.49 4.39 0.00 3.97 4.15 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 0.00 116 N 9.13 4.52 0.00 2.95 2.90 0.00 0.00 6.85 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 0.00 117 S 7.45 4.31 0.00 3.90 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 * Residues marked with a * may have inaccurate shift predictions.