NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7314 8.3501 109.7374 45.3077 0.0000 176.8308 *2 A 4.3431 8.6313 124.5266 51.5537 20.0707 175.9468 3 R 5.0426 8.3924 115.1515 54.4736 33.2861 173.9635 4 K 4.6300 8.9945 121.9102 54.5977 34.6412 175.5000 5 R 4.3062 8.6378 126.3661 56.7671 30.2856 175.4605 6 L 4.5338 9.1186 124.3025 55.9333 42.7018 176.4385 7 I 4.7636 7.4905 117.6086 59.2992 42.1591 173.1042 8 I 4.9641 8.3847 127.1276 59.7106 39.8330 174.6421 9 E 4.4819 9.3294 126.3801 54.5299 33.2333 175.1107 *11 G 4.0512 8.1875 105.2447 46.0562 0.0000 171.8537 *13 G 4.1731 8.4524 106.7950 46.2549 0.0000 172.1258 14 I 5.1186 8.1420 121.8968 59.3386 40.8588 174.5971 15 D 4.6557 9.1068 127.8393 52.9445 40.6095 176.1154 16 Q 4.1541 8.5758 125.8089 58.3562 29.3803 177.5284 17 H 4.7422 7.5843 114.1995 55.6877 29.3505 176.1861 18 G 4.1444 7.9647 103.6901 46.4114 0.0000 173.6749 19 Q 3.6250 8.5524 115.7598 56.2100 27.0922 174.3267 20 E 4.7184 8.5201 117.9333 52.9884 29.8355 174.5016 21 P 4.3487 0.0000 0.0000 66.0863 31.5656 178.7057 22 T 3.8494 7.9608 115.1594 66.6066 68.3134 176.2723 23 I 3.6726 7.7249 120.9963 64.2865 37.1328 178.2625 24 A 3.9592 8.0184 120.8414 55.1392 18.2526 179.3810 25 A 3.9202 8.2714 119.4303 55.4292 18.5108 180.0272 26 S 4.0567 8.4124 114.0665 61.9412 62.8459 177.2734 27 R 3.9380 8.2487 120.5559 58.9731 29.7515 179.0177 28 A 3.9914 8.1071 120.8300 55.0997 18.2553 179.8445 29 V 3.4963 7.7647 116.7903 66.0018 31.5922 178.1129 30 R 3.8560 7.9835 118.3988 59.6060 29.8016 177.9427 31 N 4.2157 8.4766 116.8481 56.6491 38.6360 176.6257 32 A 3.9869 7.9125 121.7119 54.2078 18.9375 178.6264 33 I 4.4834 7.6667 110.7904 60.4587 38.4779 177.7091 34 A 4.0025 7.8766 123.6051 55.1136 18.3282 177.8548 35 H 4.9519 8.0761 110.2222 55.5649 29.0890 174.2356 36 N 5.1392 8.0039 115.8734 51.2843 41.8118 173.6996 37 A 4.8587 8.4165 122.3087 50.6175 22.4762 176.4461 38 L 4.9733 8.1959 118.8771 52.7441 41.9940 175.8610 39 P 4.4916 0.0000 0.0000 65.2156 32.1098 178.2529 40 G 3.6369 7.6165 101.4587 43.8868 0.0000 174.1224 41 V 3.5171 7.9082 121.2716 65.5052 31.2473 177.7930 42 W 4.2835 8.0830 115.9277 59.9211 27.9006 177.9270 43 E 3.7205 6.4393 119.3033 58.6770 28.4863 179.4088 44 V 3.5350 7.3033 118.2092 64.7080 31.2116 177.8430 45 A 4.2284 7.8889 119.9107 52.8951 18.3486 178.0858 46 G 4.0780 7.8194 105.5270 45.3211 0.0000 173.7835 47 L 4.5305 7.8035 121.4304 54.3735 42.7484 177.9010 48 S 4.6154 8.7615 117.1901 59.9645 63.0631 174.8354 49 H 4.2544 7.7177 116.3370 54.5841 32.2563 172.4361 50 P 3.5118 0.0000 0.0000 65.2474 30.7014 177.0408 51 N 4.5458 7.8676 116.5390 55.4734 39.1258 174.0326 52 E 4.3814 7.6646 118.4652 55.4275 28.0771 173.9812 *54 I 4.1513 7.5889 120.8905 60.9877 39.5558 174.2400 55 I 4.9533 8.8178 127.7385 59.6272 40.3548 174.2043 56 E 5.0608 9.1598 127.2982 54.4837 32.1438 175.1871 57 V 4.7888 8.8048 124.3624 61.0433 34.4649 173.8076 58 Q 4.9675 9.1372 129.3088 53.5285 31.3913 174.0156 59 V 5.0061 8.8260 126.6933 60.9776 34.5983 173.9413 60 A 5.3581 8.5941 128.9311 50.2295 21.3792 175.3487 61 V 4.6291 8.3377 120.1156 59.9615 35.1145 171.3961 62 P 4.0049 0.0000 0.0000 62.8565 32.1063 175.7639 63 Y 3.9332 7.7793 117.8162 58.6134 35.3589 170.3427 64 P 4.2820 0.0000 0.0000 65.6311 31.9724 178.5888 65 E 4.1073 8.2331 115.5335 58.3570 29.5017 177.2320 66 Q 4.3415 8.0848 117.5203 55.7880 29.3107 175.7238 67 V 3.7169 7.5898 119.6597 62.4059 32.0232 176.3046 68 R 4.2803 8.7809 127.4913 54.9669 30.2574 176.8100 69 E 3.9311 8.6800 125.6133 59.4597 29.8288 178.4243 70 E 3.9453 8.1292 117.9875 59.3556 29.3237 178.8308 71 E 3.9424 8.0310 118.1293 59.0659 30.1040 178.6304 72 V 3.7108 7.5592 118.4295 66.1268 31.7113 178.1688 73 L 4.0280 8.1751 118.4165 57.4128 41.1865 179.0798 74 A 4.1169 7.6700 119.2189 54.2732 18.2892 179.3138 75 V 3.6375 7.4859 116.5646 64.6764 31.8484 176.5616 76 L 4.0152 7.2342 119.2486 53.6286 41.8601 175.5606 77 P 4.2648 0.0000 0.0000 64.6488 31.6504 175.4050 78 F 4.4435 7.0368 112.0361 56.3462 39.7180 172.3109 79 G 3.8755 9.5148 107.7135 44.8726 0.0000 173.4460 80 R 4.4495 8.4395 117.2731 54.8943 30.8791 175.7393 81 K 5.2425 8.5395 123.6600 54.7948 34.3868 176.1079 82 T 4.8166 8.6608 113.1078 59.9486 72.6911 172.3787 83 L 5.3994 8.4651 123.6325 53.5663 45.3050 175.4202 84 T 4.7788 8.9221 115.1650 59.8410 72.0241 172.8479 85 V 4.8535 8.3676 122.9756 61.2217 34.5310 174.0767 86 E 4.8290 9.0672 124.2869 54.3664 33.7733 174.2745 87 S 4.6468 8.2210 115.3107 56.8327 62.7939 174.7758 88 G 4.0067 9.0012 113.3871 46.9173 0.0000 171.9642 89 G 4.1458 8.1214 113.6076 46.5569 0.0000 176.5506 *91 I 3.9169 8.4994 122.5350 60.7941 38.2460 173.6666 92 V 4.2452 8.2196 126.5664 61.3809 33.0806 174.4925 93 Q 4.5601 8.7127 127.6645 55.4642 29.8871 175.8496 94 G 4.0446 8.8001 107.4288 45.1713 0.0000 172.7439 95 R 4.5116 8.9787 124.1338 56.2695 30.5815 176.0026 96 A 4.1779 9.1094 128.6498 52.7292 19.3554 177.1552 97 I 4.2309 9.2366 123.6144 58.8825 37.6854 174.7906 98 P 4.2732 0.0000 0.0000 65.5639 31.3880 179.1031 99 E 3.9527 8.1710 116.1372 58.7299 29.4849 177.4653 100 L 4.4540 7.6817 116.9022 53.9331 41.7353 176.0180 101 N 4.2081 8.1649 114.8149 54.1969 36.1077 174.4146 102 D 4.5671 7.9003 117.1198 54.5598 41.6485 177.5670 103 K 4.2002 8.6827 122.6073 58.1588 33.0503 176.1329 104 N 4.8553 7.4897 112.8246 52.5217 39.4099 173.6813 105 D 5.5199 8.5427 118.4464 54.4071 41.4576 175.8001 106 E 5.2720 7.9097 119.5695 53.9411 32.7424 174.2849 *108 L 4.2012 8.2794 118.2604 55.6466 43.6481 175.9381 109 I 4.9742 8.3469 123.4298 59.5028 39.8313 174.3926 110 A 5.1529 9.0118 129.2350 50.2498 21.6902 175.6131 111 I 4.7704 8.6378 120.2498 59.4019 40.4205 174.7182 112 A 5.2299 9.0269 127.3698 50.0100 21.9649 175.1531 113 A 4.7401 9.1178 124.0144 50.1337 21.8456 175.3612 114 V 4.6100 9.0384 123.8861 61.8344 33.5863 174.5064 115 T 5.0719 9.0413 125.6764 61.8151 71.2046 173.5466 116 V 4.6667 8.6578 126.6764 61.6092 33.1509 174.7029 117 L 5.4153 8.9363 127.1116 53.0386 45.8061 175.8048 118 I 4.7196 8.2952 120.3156 59.3277 40.8553 175.2787 119 E 4.4907 8.8173 125.3049 56.3980 30.3135 176.8495 120 N 4.5176 8.7344 119.9755 53.6740 38.6611 175.1466 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 8.35 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 *2 A 8.63 4.34 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 3 R 8.39 5.04 0.00 1.84 1.86 0.00 3.02 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 4 K 8.99 4.63 0.00 2.01 1.69 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.39 7.81 5 R 8.64 4.31 0.00 1.75 1.87 0.00 3.25 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 6 L 9.12 4.53 0.00 1.64 1.72 0.97 0.63 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 7 I 7.49 4.76 1.90 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 1.37 1.72 0.96 0.00 0.00 8 I 8.38 4.96 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.80 0.91 0.00 0.00 9 E 9.33 4.48 0.00 1.84 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 2.23 2.24 0.00 *11 G 8.19 4.05 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 0.00 0.00 0.00 *13 G 8.45 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 0.00 0.00 0.00 0.00 14 I 8.14 5.12 1.86 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 1.22 0.70 0.95 0.00 0.00 15 D 9.11 4.66 0.00 2.72 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 16 Q 8.58 4.15 0.00 1.91 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 17 H 7.58 4.74 0.00 3.20 3.29 0.00 5.86 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 7.96 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 0.00 0.00 0.00 19 Q 8.55 3.63 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.26 0.00 0.00 0.00 0.00 0.00 2.16 2.33 0.00 20 E 8.52 4.72 0.00 2.03 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 2.20 2.35 0.00 21 P 0.00 4.35 0.00 2.32 2.60 0.00 3.79 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 22 T 7.96 3.85 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 1.26 0.00 0.00 23 I 7.72 3.67 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.58 0.91 0.00 0.00 24 A 8.02 3.96 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 25 A 8.27 3.92 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 S 8.41 4.06 0.00 3.84 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 27 R 8.25 3.94 0.00 2.04 1.96 0.00 3.20 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 28 A 8.11 3.99 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 29 V 7.76 3.50 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 0.94 0.00 0.00 0.97 0.00 0.00 30 R 7.98 3.86 0.00 1.90 2.04 0.00 3.14 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 31 N 8.48 4.22 0.00 2.84 2.93 0.00 0.00 7.18 8.05 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 32 A 7.91 3.99 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 33 I 7.67 4.48 1.83 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.04 0.91 0.00 0.00 34 A 7.88 4.00 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 35 H 8.08 4.95 0.00 3.12 3.31 0.00 5.66 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.00 5.14 0.00 2.85 2.71 0.00 0.00 6.59 6.62 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 37 A 8.42 4.86 1.25 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 0.00 0.00 38 L 8.20 4.97 0.00 1.91 1.81 1.11 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.49 0.00 2.19 2.25 0.00 3.85 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 40 G 7.62 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.91 3.52 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 1.10 0.00 0.00 0.95 0.00 0.00 42 W 8.08 4.28 0.00 3.66 3.32 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 43 E 6.44 3.72 0.00 1.40 1.65 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 1.90 1.47 0.00 44 V 7.30 3.53 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 0.73 0.00 0.00 0.87 0.00 0.00 45 A 7.89 4.23 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 46 G 7.82 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 0.00 0.00 0.00 0.00 47 L 7.80 4.53 0.00 1.96 1.86 1.03 0.89 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 48 S 8.76 4.62 0.00 3.65 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 49 H 7.72 4.25 0.00 3.00 2.94 0.00 5.65 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 3.51 0.00 0.49 0.66 0.00 2.29 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.69 0.00 51 N 7.87 4.55 0.00 2.75 2.74 0.00 0.00 7.24 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 52 E 7.66 4.38 0.00 2.15 1.92 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 2.31 2.25 0.00 *54 I 7.59 4.15 2.08 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 1.37 0.76 0.93 0.00 0.00 55 I 8.82 4.95 1.88 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 1.29 0.77 0.94 0.00 0.00 56 E 9.16 5.06 0.00 1.90 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 2.24 2.23 0.00 57 V 8.80 4.79 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 1.00 0.00 0.00 0.91 0.00 0.00 58 Q 9.14 4.97 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.54 0.00 0.00 0.00 0.00 0.00 2.23 2.10 0.00 59 V 8.83 5.01 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 0.90 0.00 0.00 0.92 0.00 0.00 60 A 8.59 5.36 1.20 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 0.00 0.00 0.00 61 V 8.34 4.63 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 0.68 0.00 0.00 0.95 0.00 0.00 62 P 0.00 4.00 0.00 1.79 1.65 0.00 3.83 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 63 Y 7.78 3.93 0.00 3.18 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 64 P 0.00 4.28 0.00 2.22 2.41 0.00 3.70 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 65 E 8.23 4.11 0.00 2.12 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 2.33 2.32 0.00 66 Q 8.08 4.34 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 67 V 7.59 3.72 2.20 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 0.76 0.00 0.00 0.95 0.00 0.00 68 R 8.78 4.28 0.00 1.88 1.87 0.00 3.19 0.00 0.00 3.09 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 69 E 8.68 3.93 0.00 2.03 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 2.37 2.41 0.00 70 E 8.13 3.95 0.00 2.09 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 2.40 2.42 0.00 71 E 8.03 3.94 0.00 1.95 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 0.00 2.28 2.35 0.00 72 V 7.56 3.71 2.20 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 0.96 0.00 0.00 0.97 0.00 0.00 73 L 8.18 4.03 0.00 1.71 1.68 0.95 0.88 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 A 7.67 4.12 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 75 V 7.49 3.64 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 0.84 0.00 0.00 1.05 0.00 0.00 76 L 7.23 4.02 0.00 1.70 1.37 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.26 0.00 2.11 2.07 0.00 3.31 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 0.70 1.63 0.00 78 F 7.04 4.44 0.00 3.13 3.04 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 0.00 0.00 0.00 79 G 9.51 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 0.00 0.00 0.00 80 R 8.44 4.45 0.00 1.80 1.92 0.00 3.12 0.00 0.00 3.35 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 81 K 8.54 5.24 0.00 1.61 1.69 0.00 1.67 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.60 7.81 82 T 8.66 4.82 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 83 L 8.47 5.40 0.00 1.59 1.51 0.95 0.87 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 84 T 8.92 4.78 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 85 V 8.37 4.85 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 0.92 0.00 0.00 0.93 0.00 0.00 86 E 9.07 4.83 0.00 2.00 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 2.38 2.22 0.00 87 S 8.22 4.65 0.00 3.87 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 88 G 9.00 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 89 G 8.12 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 0.00 0.00 0.00 *91 I 8.50 3.92 1.86 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.51 0.95 0.00 0.00 92 V 8.22 4.25 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 1.00 0.00 0.00 0.93 0.00 0.00 93 Q 8.71 4.56 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.63 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 94 G 8.80 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.98 4.51 0.00 2.10 1.87 0.00 3.38 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.23 0.00 96 A 9.11 4.18 1.30 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 0.00 0.00 0.00 97 I 9.24 4.23 1.95 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.92 0.99 0.00 0.00 98 P 0.00 4.27 0.00 2.17 2.10 0.00 3.60 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 99 E 8.17 3.95 0.00 1.94 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 0.00 2.31 2.39 0.00 100 L 7.68 4.45 0.00 1.78 1.72 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 101 N 8.16 4.21 0.00 2.71 2.77 0.00 0.00 6.92 7.81 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 0.00 102 D 7.90 4.57 0.00 2.76 2.76 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 0.00 103 K 8.68 4.20 0.00 1.86 1.98 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.35 7.81 104 N 7.49 4.86 0.00 2.76 2.77 0.00 0.00 6.00 8.06 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 0.00 105 D 8.54 5.52 0.00 2.74 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 0.00 106 E 7.91 5.27 0.00 2.09 1.92 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 2.29 2.26 0.00 *108 L 8.28 4.20 0.00 1.67 1.70 1.10 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 109 I 8.35 4.97 1.87 0.00 0.00 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 1.28 1.46 0.90 0.00 0.00 110 A 9.01 5.15 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 0.00 111 I 8.64 4.77 1.86 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 1.15 0.75 0.90 0.00 0.00 112 A 9.03 5.23 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 0.00 113 A 9.12 4.74 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 0.00 114 V 9.04 4.61 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 0.92 0.00 0.00 0.91 0.00 0.00 115 T 9.04 5.07 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 1.23 0.00 0.00 116 V 8.66 4.67 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 1.10 0.00 0.00 1.01 0.00 0.00 117 L 8.94 5.42 0.00 1.51 1.63 1.06 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 118 I 8.30 4.72 1.90 0.00 0.00 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 1.23 0.68 0.94 0.00 0.00 119 E 8.82 4.49 0.00 1.87 1.90 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 2.33 2.36 0.00 120 N 8.73 4.52 0.00 2.72 2.73 0.00 0.00 6.83 7.12 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 * Residues marked with a * may have inaccurate shift predictions.