NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2816 8.1749 110.9142 61.1207 70.0986 173.3712 3 F 4.0326 8.8791 124.4037 56.9788 39.5526 173.5032 4 R 4.6737 8.3237 124.1925 54.3919 33.7004 175.0215 5 D 4.8405 8.1520 119.7715 52.0363 41.3730 177.5360 6 T 4.0250 8.2470 109.1001 63.8163 69.0477 176.6067 7 S 4.1288 8.0824 116.6477 60.8694 62.6521 175.5640 8 A 3.9699 7.9010 124.0794 54.5991 18.2735 177.1411 9 I 4.0389 7.6353 117.6284 60.5752 37.6506 175.7756 10 A 4.2154 8.7272 129.0845 54.7438 18.9428 177.0406 11 S 4.4535 7.2167 107.3353 57.6777 66.4753 173.7167 12 W 4.7086 8.9308 119.5539 54.9537 32.4480 174.7034 13 H 5.4749 8.6223 119.1135 53.9155 31.9917 172.7556 14 A 5.1083 8.9726 122.8475 50.4245 22.5870 174.8707 15 H 5.1764 9.0964 118.1876 53.8135 32.3638 173.2096 16 V 4.0603 8.3908 125.1491 62.7871 32.0460 174.3843 17 Y 5.6744 9.0929 126.6978 57.2006 39.9784 174.8790 18 F 5.0541 8.7095 117.6935 56.6777 41.9854 171.7801 19 D 3.3700 9.0502 116.5682 51.5920 42.0072 175.3106 20 A 4.2299 7.6290 120.5817 55.7540 18.3728 180.2352 21 S 4.2719 7.9403 109.4332 60.6341 63.2734 175.2810 22 S 4.8094 8.1247 113.5728 57.8667 63.3571 175.6511 23 R 4.2720 8.1119 122.0901 60.1652 29.7009 178.0054 24 D 4.4321 8.3272 117.0276 57.3738 41.3608 177.7721 25 A 4.0499 8.2106 120.5511 55.2770 18.4500 179.2774 26 A 4.1479 8.4572 119.4349 55.0907 18.3351 179.6960 27 W 3.5390 8.7149 127.1937 60.6764 30.7446 178.3027 28 T 3.8546 8.3114 115.9361 66.6544 67.8410 176.3095 29 L 4.0842 8.1086 122.1617 57.9913 42.1022 178.8996 30 R 3.7554 8.0051 118.6210 59.5818 29.9386 178.1698 31 E 3.6925 7.7879 118.5097 59.6924 29.3547 179.5874 32 Q 4.1161 8.0686 117.8581 58.6665 28.9126 178.5951 33 I 3.7473 8.2319 121.2745 64.4213 37.0592 178.0242 34 E 3.9355 8.2257 119.1516 59.5050 29.3372 179.5338 35 A 3.9989 7.9321 120.4105 55.4631 18.2970 179.1583 36 H 3.8015 8.2649 115.7832 58.3689 30.0815 176.5867 37 W 4.4262 7.7713 117.6966 55.1508 29.1483 176.2941 38 S 3.6731 8.5617 113.3020 59.6806 60.4000 173.0657 39 G 3.9460 8.1156 104.4402 46.4534 0.0000 175.6339 40 K 4.2310 8.1051 118.6360 56.6808 32.6080 176.8837 41 L 4.4667 7.5045 119.3069 52.7016 43.1391 175.9942 42 Q 4.1414 8.5405 124.8156 56.3922 30.2274 174.6060 43 L 5.1225 8.4038 127.3403 53.5385 45.0823 176.1841 44 G 4.1627 9.0781 114.5360 44.9256 0.0000 173.2768 45 R 4.2270 8.4321 118.4045 56.1991 30.8627 177.9509 46 F 4.8347 8.8745 124.9685 58.1978 38.4436 172.6192 47 H 4.5518 9.4587 121.0662 54.2650 29.9479 176.0039 48 E 3.5820 8.0320 126.1408 54.4881 29.7279 175.6160 49 R 4.2167 6.5639 111.6819 54.4218 32.0329 172.6509 50 P 4.4402 0.0000 0.0000 62.5532 32.0342 176.5490 51 V 4.5136 7.7130 112.7770 60.3311 35.9829 177.1262 52 G 4.0086 8.3082 111.8176 46.6140 0.0000 173.1100 53 P 4.5783 0.0000 0.0000 63.2654 31.2993 174.9480 54 H 5.0720 8.5967 118.6431 53.7994 29.1494 173.5565 55 P 4.4992 0.0000 0.0000 63.0358 31.8779 175.8585 *57 W 4.8929 7.8729 117.5844 57.9411 30.7106 174.5403 58 S 6.1146 8.7063 115.8315 58.6808 66.3269 172.7951 59 Y 5.4904 8.4367 117.7846 55.6604 41.8060 173.3502 60 Q 4.9833 8.9558 121.6752 54.5596 31.7107 173.7500 61 L 5.3748 9.1677 127.0626 53.1908 45.4806 174.7487 62 A 5.3801 8.5063 127.0566 50.3843 21.7939 175.1119 63 F 5.0160 8.5923 115.3350 56.4880 42.0331 173.1682 64 T 4.7096 9.0259 109.9157 60.2269 71.0513 175.6369 65 Q 4.1770 8.9533 122.3027 59.7212 28.7050 178.1828 66 E 4.2767 7.8944 117.0423 58.0940 29.8184 177.9968 67 Q 4.5772 8.2095 117.4883 55.4586 29.2868 177.0466 68 F 4.2560 8.1553 123.6133 61.2616 39.4327 176.8549 69 A 3.7481 8.0298 119.8932 55.0892 18.2289 178.7736 70 D 4.2872 7.9766 115.9117 57.5015 41.3929 178.1078 71 L 3.6680 7.6351 120.5744 58.0489 41.9075 179.1389 72 V 3.4304 7.5448 118.6360 65.5851 31.3249 177.9820 73 G 3.6741 7.9689 105.6362 47.7727 0.0000 175.4222 74 W 4.1335 8.4306 131.1824 60.0918 30.8821 178.1218 75 L 4.1330 8.7067 119.5063 58.0422 40.8002 179.5781 76 T 3.8369 8.0154 115.4017 66.6458 68.4371 176.4117 77 L 4.1450 7.7437 119.9340 56.6393 41.6734 177.6093 78 N 4.7127 7.1914 112.5117 52.7495 39.8553 175.0600 79 H 4.3585 8.2919 116.1063 56.2842 29.9559 176.6906 80 G 3.6627 7.4103 107.7797 46.9988 0.0000 174.3464 81 A 4.4105 8.5828 127.5456 51.8318 19.0405 176.9937 82 L 4.4490 7.6242 117.6621 54.2593 42.4479 176.6966 83 D 5.0348 8.8697 123.8238 54.4889 42.4709 175.2437 84 I 4.8824 8.8143 122.8704 59.4878 40.8827 174.1257 85 F 4.4935 8.6297 129.9278 56.8293 40.6803 174.3880 86 L 5.0999 8.4355 126.1877 53.2691 45.3985 175.2068 87 H 5.2443 8.4678 116.3323 53.6761 31.9934 171.4069 88 P 3.5895 0.0000 0.0000 62.3147 32.6111 175.1252 89 N 4.9975 8.6005 118.5855 51.9147 40.4998 175.3297 90 T 4.4604 8.9592 113.1973 60.2307 69.6502 175.1518 91 G 3.9314 8.8275 110.3582 45.4535 0.0000 173.6571 92 D 4.5900 7.5030 118.6877 50.7371 41.7146 175.2747 93 A 4.0152 8.4822 126.2903 54.6988 18.5100 178.7430 94 L 3.8306 7.8276 118.0260 58.2922 42.1819 178.7893 95 R 3.8682 8.0081 118.0994 59.6154 29.9659 177.9560 96 D 4.3002 8.3578 118.8310 57.9887 40.6465 178.7462 97 H 4.4469 8.0836 115.0608 58.5635 28.8374 177.6566 98 R 4.1121 8.3512 120.2344 59.0227 30.1334 176.8395 99 D 4.8131 8.4342 115.7928 54.2582 42.5793 176.8465 100 A 4.7009 7.8221 120.6872 51.3708 19.4291 175.6673 101 A 4.4535 8.3179 121.2214 53.7652 19.1252 178.1883 102 V 4.5805 8.9431 122.5498 60.7842 35.1344 174.3543 103 W 5.4847 8.7478 125.4046 55.0978 32.6200 174.6437 104 I 3.9550 8.9707 126.8284 63.8861 37.8092 175.3078 105 G 4.2476 9.8207 117.9485 44.4515 0.0000 174.7174 106 H 4.8948 5.7653 112.1387 53.6060 33.0306 173.4064 107 S 2.7900 7.9482 116.3695 57.2064 64.0355 173.1537 108 H 4.5569 5.4411 116.9761 53.5803 32.2667 173.2911 109 E 4.1021 8.5298 122.1178 56.1320 29.5935 177.1305 110 L 4.4564 8.2857 124.0452 54.2311 43.2874 177.7904 111 V 4.0140 8.2387 122.5274 61.4658 29.9909 176.7370 112 L 4.0531 7.7986 124.0896 57.1302 42.2034 179.7922 113 S 4.1248 8.1049 111.9780 60.7512 62.7818 175.1321 114 A 4.1320 7.9110 122.7580 53.4844 18.5360 177.2982 115 L 4.2478 7.7502 120.6583 54.7252 41.8162 176.3410 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 T 8.17 4.28 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 1.20 0.00 0.00 3 F 8.88 4.03 0.00 3.12 3.06 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 0.00 0.00 0.00 0.00 4 R 8.32 4.67 0.00 1.77 1.81 0.00 3.15 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 1.52 1.56 0.00 5 D 8.15 4.84 0.00 2.82 2.81 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 6 T 8.25 4.03 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 1.23 0.00 0.00 7 S 8.08 4.13 0.00 4.00 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 8 A 7.90 3.97 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 9 I 7.64 4.04 1.76 0.00 0.00 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 0.77 0.37 0.29 0.00 0.00 10 A 8.73 4.22 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 11 S 7.22 4.45 0.00 3.86 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 12 W 8.93 4.71 0.00 1.90 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 0.00 0.00 0.00 13 H 8.62 5.47 0.00 2.64 2.87 0.00 5.57 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 14 A 8.97 5.11 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 15 H 9.10 5.18 0.00 3.09 3.39 0.00 5.62 0.00 0.00 0.00 0.00 6.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.39 4.06 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 0.00 0.00 0.98 0.00 0.00 0.73 0.00 0.00 17 Y 9.09 5.67 0.00 3.25 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 18 F 8.71 5.05 0.00 3.18 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 19 D 9.05 3.37 0.00 2.11 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 0.00 0.00 0.00 0.00 20 A 7.63 4.23 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 21 S 7.94 4.27 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.12 4.81 0.00 4.19 4.19 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 23 R 8.11 4.27 0.00 2.60 2.28 0.00 3.44 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.32 0.00 24 D 8.33 4.43 0.00 2.92 2.75 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 25 A 8.21 4.05 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 26 A 8.46 4.15 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 27 W 8.71 3.54 0.00 3.30 3.18 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 28 T 8.31 3.85 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 1.25 0.00 0.00 29 L 8.11 4.08 0.00 1.89 2.04 1.15 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.01 3.76 0.00 1.26 1.16 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.95 0.00 31 E 7.79 3.69 0.00 2.08 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 2.09 1.82 0.00 32 Q 8.07 4.12 0.00 2.45 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.62 2.62 0.00 33 I 8.23 3.75 2.11 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 1.76 1.43 0.95 0.00 0.00 34 E 8.23 3.94 0.00 2.08 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 2.23 2.32 0.00 35 A 7.93 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 36 H 8.26 3.80 0.00 2.73 2.43 0.00 5.93 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 37 W 7.77 4.43 0.00 3.34 2.90 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 38 S 8.56 3.67 0.00 3.98 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 39 G 8.12 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.11 4.23 0.00 1.94 1.88 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.57 7.81 41 L 7.50 4.47 0.00 1.51 1.45 -0.18 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.54 4.14 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 43 L 8.40 5.12 0.00 1.61 1.47 1.07 0.92 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 44 G 9.08 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 0.00 0.00 0.00 45 R 8.43 4.23 0.00 1.53 1.86 0.00 3.26 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 46 F 8.87 4.83 0.00 3.09 3.24 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 47 H 9.46 4.55 0.00 3.33 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.03 3.58 0.00 1.41 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 2.19 2.37 0.00 49 R 6.56 4.22 0.00 1.76 1.58 0.00 2.97 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.53 0.00 50 P 0.00 4.44 0.00 2.07 2.15 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.20 0.00 51 V 7.71 4.51 2.01 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 0.64 0.00 0.00 0.89 0.00 0.00 52 G 8.31 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 53 P 0.00 4.58 0.00 2.16 2.17 0.00 3.58 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 1.78 1.83 0.00 54 H 8.60 5.07 0.00 3.30 3.15 0.00 5.62 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.50 0.00 2.12 2.10 0.00 3.69 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.23 0.00 *57 W 7.87 4.89 0.00 2.10 2.26 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 0.00 58 S 8.71 6.11 0.00 4.19 3.95 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 0.00 0.00 0.00 59 Y 8.44 5.49 0.00 3.16 3.37 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 60 Q 8.96 4.98 0.00 2.26 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.89 0.00 0.00 0.00 0.00 0.00 2.20 2.06 0.00 61 L 9.17 5.37 0.00 1.78 1.51 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.51 5.38 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 63 F 8.59 5.02 0.00 3.16 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 64 T 9.03 4.71 4.31 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 1.25 0.00 0.00 65 Q 8.95 4.18 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.96 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 66 E 7.89 4.28 0.00 2.18 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 2.39 2.40 0.00 67 Q 8.21 4.58 0.00 2.19 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 68 F 8.16 4.26 0.00 3.13 3.13 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 69 A 8.03 3.75 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 70 D 7.98 4.29 0.00 2.85 2.85 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 7.64 3.67 0.00 0.97 0.53 -0.30 -0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 72 V 7.54 3.43 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 0.68 0.00 0.00 0.14 0.00 0.00 73 G 7.97 3.67 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 74 W 8.43 4.13 0.00 3.61 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.71 4.13 0.00 1.69 1.73 0.83 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.02 3.84 4.33 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 1.17 0.00 0.00 77 L 7.74 4.14 0.00 1.53 1.54 0.87 0.98 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 78 N 7.19 4.71 0.00 1.54 2.06 0.00 0.00 7.05 7.74 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 79 H 8.29 4.36 0.00 3.55 3.72 0.00 5.57 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 80 G 7.41 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 81 A 8.58 4.41 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 82 L 7.62 4.45 0.00 1.96 1.79 1.09 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.87 5.03 0.00 2.87 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 84 I 8.81 4.88 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.06 0.90 0.00 0.00 85 F 8.63 4.49 0.00 2.23 2.35 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 86 L 8.44 5.10 0.00 1.53 1.58 0.95 0.83 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 87 H 8.47 5.24 0.00 3.00 2.93 0.00 5.45 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 3.59 0.00 1.28 0.49 0.00 3.51 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.48 0.00 89 N 8.60 5.00 0.00 2.39 2.57 0.00 0.00 6.91 7.03 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 90 T 8.96 4.46 4.12 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 1.05 0.00 0.00 91 G 8.83 3.93 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 0.00 0.00 0.00 92 D 7.50 4.59 0.00 2.51 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 93 A 8.48 4.02 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 94 L 7.83 3.83 0.00 1.75 1.66 0.91 0.83 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 95 R 8.01 3.87 0.00 2.10 2.04 0.00 3.13 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 96 D 8.36 4.30 0.00 2.84 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 97 H 8.08 4.45 0.00 3.11 3.43 0.00 5.85 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.35 4.11 0.00 1.90 2.03 0.00 3.23 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 99 D 8.43 4.81 0.00 2.83 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 0.00 100 A 7.82 4.70 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 0.00 101 A 8.32 4.45 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.94 4.58 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 0.93 0.00 0.00 1.14 0.00 0.00 103 W 8.75 5.48 0.00 3.25 3.30 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 0.00 104 I 8.97 3.95 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.62 0.57 0.00 0.00 105 G 9.82 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 0.00 0.00 0.00 0.00 106 H 5.77 4.89 0.00 3.16 3.05 0.00 5.85 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.95 2.79 0.00 2.80 2.81 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 0.00 108 H 5.44 4.56 0.00 3.09 3.18 0.00 5.70 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 0.00 109 E 8.53 4.10 0.00 1.92 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 2.23 2.23 0.00 110 L 8.29 4.46 0.00 1.64 1.57 0.71 0.79 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 0.00 111 V 8.24 4.01 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 0.95 0.00 0.00 0.91 0.00 0.00 112 L 7.80 4.05 0.00 1.74 1.70 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.10 4.12 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.91 4.13 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 0.00 115 L 7.75 4.25 0.00 1.69 1.52 0.70 0.43 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 * Residues marked with a * may have inaccurate shift predictions.