NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1476 8.1127 120.8621 56.8167 29.9825 176.1088 3 V 3.2075 8.1734 122.6442 61.6356 31.5026 172.2026 4 K 4.2048 8.0461 118.1329 58.3248 33.6310 175.9150 5 M 4.5658 7.0637 117.7667 54.3550 33.4105 173.5095 6 H 4.5699 8.3994 111.9698 55.4458 30.9497 173.6692 7 V 3.6830 8.6835 112.4436 64.4078 31.1694 176.1884 8 K 4.7576 7.4043 114.8718 54.2696 34.6597 174.6193 9 K 4.3016 8.0576 117.9910 56.2413 33.9016 178.5838 10 G 4.2246 8.7277 104.6181 46.0340 0.0000 173.5732 11 D 4.9846 7.4729 123.3231 53.4085 41.8888 179.9658 12 T 4.7427 8.9184 118.3713 62.0560 71.9669 171.7842 13 V 4.9061 8.8030 120.1229 59.3490 35.4927 175.4139 14 L 4.7443 8.6988 125.4365 54.7113 43.9305 175.4421 15 V 4.7491 7.2674 123.0394 61.9644 34.7795 175.3376 16 A 5.3161 7.4391 126.3529 52.1352 23.4119 177.7329 17 S 4.5076 8.7625 117.0709 59.7810 61.3835 174.7291 18 G 4.2463 8.6252 108.6051 46.0603 0.0000 174.7729 19 K 3.9244 8.3375 121.2104 58.5094 32.5852 178.1372 20 Y 4.3906 7.6380 114.9605 56.8126 38.3621 175.5781 21 K 3.5712 7.9003 122.2417 57.4664 32.1172 173.1897 22 G 3.7247 8.5800 122.8287 45.7609 0.0000 172.9232 23 R 4.3154 8.0663 121.7669 54.6996 33.8667 174.8473 24 V 3.9673 8.6771 124.9964 63.8118 32.2514 175.3390 25 G 4.1415 8.6378 111.0556 45.5485 0.0000 174.1161 26 K 4.5818 8.5494 123.3556 55.8852 34.6700 175.3940 27 V 3.5336 7.6385 115.9902 62.1114 32.6515 177.0433 28 K 4.2432 7.6945 124.3473 56.8631 33.2196 177.3792 29 E 3.6096 8.1958 117.0512 58.3471 26.3092 175.4207 30 V 3.3218 7.1890 119.0403 62.3512 32.4575 174.4000 31 L 4.0058 7.8822 128.7504 54.7134 41.5813 175.3439 32 P 4.7497 0.0000 0.0000 62.4241 32.7057 177.2711 33 K 3.3929 8.1457 118.9173 58.9452 32.0040 177.2395 34 K 4.3237 7.8911 115.3473 55.2315 34.1985 174.8672 35 Y 3.1646 8.7635 120.8507 58.0383 37.4004 168.4100 36 A 5.1812 7.0300 122.6329 50.9156 23.9696 176.5022 37 V 4.3914 8.0898 115.4254 60.8818 30.3886 176.1786 38 I 4.0117 8.4303 130.4735 62.6031 44.6913 176.0873 39 V 3.4094 7.1984 118.1752 63.4603 31.3453 173.6524 40 E 4.6269 8.7504 113.3737 56.3210 32.3644 175.4323 41 G 3.3014 8.0494 108.7946 46.8063 0.0000 175.2033 42 V 2.4992 5.4500 111.9273 64.1002 28.9616 174.8660 43 N 5.1287 7.6509 132.6108 52.2262 38.2242 174.4044 44 I 4.2639 7.4657 119.1598 61.3666 38.4142 175.4648 45 V 4.6658 7.8679 120.0297 61.4421 34.7602 173.9296 46 K 4.2714 8.9305 119.4775 56.3562 33.8649 177.8727 47 K 4.6312 7.5984 128.2764 56.5607 32.3730 173.4344 48 A 3.8292 6.2881 124.3452 52.2292 17.1604 177.5353 49 V 4.1453 8.0339 120.7771 62.5406 34.5340 177.5514 50 R 3.9937 7.9385 116.4824 56.2214 26.8940 176.5916 51 V 3.8200 8.3186 118.8867 65.9524 32.2573 177.3687 52 S 4.4814 7.5889 114.2656 56.3214 65.2736 173.2255 53 P 4.4288 0.0000 0.0000 63.1634 30.8397 175.8731 54 K 3.4883 8.3177 120.2446 56.9717 32.7125 176.7031 55 Y 3.6084 9.1266 114.6791 58.8226 37.6840 171.9016 56 P 3.7287 0.0000 0.0000 61.7551 33.6855 179.4107 57 Q 4.6457 8.9974 128.7844 55.7876 32.5702 174.2586 58 G 4.0300 8.0380 108.4773 45.1710 0.0000 175.6228 59 G 4.1619 8.8105 111.5934 45.3545 0.0000 172.7954 60 F 5.4299 8.7407 113.9938 56.5499 39.6913 175.8459 61 I 4.6147 7.5820 120.4421 60.9298 39.3445 177.1777 62 E 3.9475 8.2226 118.2339 58.3936 28.4445 180.1096 63 K 4.5972 6.0355 126.2321 56.6911 36.6557 174.3849 64 E 4.9901 8.9333 119.4377 55.2340 31.4485 176.0788 65 A 4.3804 8.2239 123.8258 51.6953 20.7870 177.5716 66 P 3.7519 0.0000 0.0000 64.4156 32.4863 172.4481 67 L 3.4669 7.8294 129.1328 54.1710 43.0922 173.4047 68 H 4.5018 8.7366 125.4272 56.2496 30.4206 175.7592 69 A 3.8922 8.7279 129.8010 55.3025 18.2358 179.0281 70 S 4.6098 8.2338 107.8792 59.6971 62.0198 174.6655 71 K 4.2509 8.4195 119.2246 58.6119 32.3893 176.9832 72 V 4.7154 7.0738 110.0029 60.2668 33.6906 175.8674 73 R 4.8173 8.5781 120.2919 54.1308 34.5817 173.5652 74 P 5.0627 0.0000 0.0000 62.8321 32.7752 175.3420 75 I 4.7344 7.5204 119.9167 59.8241 41.0784 174.6487 76 C 4.5975 9.1371 123.5072 59.7607 34.2517 173.9406 77 P 3.9543 0.0000 0.0000 61.7273 27.5412 175.7377 78 A 4.4475 6.4479 123.7901 52.6820 22.0660 175.2388 79 C 4.7662 8.0502 117.0125 59.0309 36.1423 177.3880 80 G 3.6911 8.3002 107.0890 45.3731 0.0000 177.6078 81 K 3.9968 8.9374 130.9428 55.6871 31.8970 173.9009 82 P 4.4710 0.0000 0.0000 63.3214 32.5341 175.7646 83 T 4.5633 8.3949 118.9318 63.5851 69.9001 174.2016 84 R 4.9038 9.0027 123.6009 54.6804 34.5036 174.1374 85 V 4.9768 8.1919 117.7375 62.0511 34.3250 174.4857 86 R 4.7963 8.9592 126.8899 54.4556 33.7128 176.1736 87 K 4.0141 8.7104 120.7548 57.7021 33.3648 179.4787 88 K 4.0416 8.4896 115.7769 55.8851 30.5476 175.9808 89 F 4.0964 8.4638 119.0060 57.5601 37.0490 174.7876 90 L 5.4301 7.5235 128.8369 56.1058 41.0032 173.6252 91 E 4.2962 7.9292 121.2619 55.6424 32.9044 174.3103 92 N 4.9445 7.7437 121.4554 54.6471 42.4963 174.8589 93 G 4.3287 8.5462 111.9634 44.7837 0.0000 171.1877 94 K 5.0723 8.5166 119.2281 55.5303 33.7662 176.3347 95 K 4.8337 8.6294 121.4227 54.8409 37.2123 175.6596 96 I 4.5532 8.1814 115.5872 59.6085 39.6365 175.5329 97 R 3.7837 7.9622 116.9759 57.1911 29.5656 177.4317 98 V 3.1198 8.4512 117.5361 62.6338 28.9434 172.2331 99 C 5.7878 8.3899 131.0159 59.2792 33.3526 172.8574 100 A 3.8257 6.8528 120.3812 50.0150 19.2237 176.6704 101 K 4.7463 8.6023 135.0000 57.0591 34.5346 174.9846 *102 C 4.3630 8.3133 122.9713 58.0801 28.5244 169.8979 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 R 8.11 4.15 0.00 1.83 1.93 0.00 3.45 0.00 0.00 3.34 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 3 V 8.17 3.21 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 0.90 0.00 0.00 0.94 0.00 0.00 4 K 8.05 4.20 0.00 1.91 1.93 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.57 1.39 7.81 5 M 7.06 4.57 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 6 H 8.40 4.57 0.00 3.20 3.46 0.00 5.57 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.68 3.68 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 0.74 0.00 0.00 0.94 0.00 0.00 8 K 7.40 4.76 0.00 1.57 1.82 0.00 1.50 0.00 0.00 1.67 0.00 0.00 3.22 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.39 7.81 9 K 8.06 4.30 0.00 1.83 1.77 0.00 1.48 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.44 7.81 10 G 8.73 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 0.00 0.00 0.00 0.00 11 D 7.47 4.98 0.00 2.62 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 0.00 0.00 0.00 12 T 8.92 4.74 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 1.21 0.00 0.00 13 V 8.80 4.91 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 0.76 0.00 0.00 0.98 0.00 0.00 14 L 8.70 4.74 0.00 1.77 1.54 0.96 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.27 4.75 2.40 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 0.97 0.00 0.00 1.03 0.00 0.00 16 A 7.44 5.32 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 17 S 8.76 4.51 0.00 4.04 3.44 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 18 G 8.63 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 19 K 8.34 3.92 0.00 2.05 2.32 0.00 1.82 0.00 0.00 1.86 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.56 7.81 20 Y 7.64 4.39 0.00 2.86 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 21 K 7.90 3.57 0.00 1.85 1.78 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.46 7.81 22 G 8.58 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 23 R 8.07 4.32 0.00 1.81 1.88 0.00 3.11 0.00 0.00 3.34 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.85 0.00 24 V 8.68 3.97 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 25 G 8.64 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 26 K 8.55 4.58 0.00 1.80 1.73 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.62 1.42 7.81 27 V 7.64 3.53 2.19 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 0.98 0.00 0.00 0.94 0.00 0.00 28 K 7.69 4.24 0.00 1.97 1.83 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.30 1.32 7.81 29 E 8.20 3.61 0.00 2.01 2.19 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 2.24 2.33 0.00 30 V 7.19 3.32 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 0.78 0.00 0.00 0.88 0.00 0.00 31 L 7.88 4.01 0.00 1.82 1.50 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.75 0.00 2.18 2.16 0.00 3.71 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 1.95 1.93 0.00 33 K 8.15 3.39 0.00 1.77 1.95 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.49 7.81 34 K 7.89 4.32 0.00 1.73 1.85 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.39 7.81 35 Y 8.76 3.16 0.00 3.08 2.86 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 36 A 7.03 5.18 1.26 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 0.00 0.00 37 V 8.09 4.39 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 0.64 0.00 0.00 1.03 0.00 0.00 38 I 8.43 4.01 2.10 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.46 0.88 0.00 0.00 39 V 7.20 3.41 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 0.86 0.00 0.00 0.91 0.00 0.00 40 E 8.75 4.63 0.00 1.97 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 2.22 2.26 0.00 41 G 8.05 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 0.00 0.00 0.00 42 V 5.45 2.50 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 0.95 0.00 0.00 0.67 0.00 0.00 43 N 7.65 5.13 0.00 2.86 2.73 0.00 0.00 7.04 7.32 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 44 I 7.47 4.26 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.73 0.94 0.00 0.00 45 V 7.87 4.67 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 0.80 0.00 0.00 0.93 0.00 0.00 46 K 8.93 4.27 0.00 1.72 1.75 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.18 1.21 7.81 47 K 7.60 4.63 0.00 1.90 1.88 0.00 1.56 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.01 1.08 7.81 48 A 6.29 3.83 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 49 V 8.03 4.15 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 0.87 0.00 0.00 1.02 0.00 0.00 50 R 7.94 3.99 0.00 1.99 1.92 0.00 3.27 0.00 0.00 3.15 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 51 V 8.32 3.82 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 0.79 0.00 0.00 0.91 0.00 0.00 52 S 7.59 4.48 0.00 3.91 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 53 P 0.00 4.43 0.00 2.02 2.09 0.00 3.67 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 54 K 8.32 3.49 0.00 1.43 1.23 0.00 1.80 0.00 0.00 1.49 0.00 0.00 3.36 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.17 1.32 7.81 55 Y 9.13 3.61 0.00 3.17 3.16 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 56 P 0.00 3.73 0.00 2.16 1.55 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 57 Q 9.00 4.65 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 58 G 8.04 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 59 G 8.81 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 60 F 8.74 5.43 0.00 2.93 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 61 I 7.58 4.61 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.47 0.94 0.00 0.00 62 E 8.22 3.95 0.00 1.99 1.26 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 2.27 2.36 0.00 63 K 6.04 4.60 0.00 1.54 1.68 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.41 7.81 64 E 8.93 4.99 0.00 1.78 1.82 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 2.24 2.26 0.00 65 A 8.22 4.38 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 66 P 0.00 3.75 0.00 1.98 2.17 0.00 3.78 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 67 L 7.83 3.47 0.00 2.11 1.61 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.74 4.50 0.00 3.24 3.23 0.00 5.74 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 69 A 8.73 3.89 0.83 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 0.00 0.00 0.00 0.00 0.00 70 S 8.23 4.61 0.00 4.02 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 0.00 71 K 8.42 4.25 0.00 2.03 1.88 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.61 7.81 72 V 7.07 4.72 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 0.66 0.00 0.00 0.94 0.00 0.00 73 R 8.58 4.82 0.00 1.73 1.76 0.00 3.14 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 74 P 0.00 5.06 0.00 2.06 2.04 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 2.12 1.99 0.00 75 I 7.52 4.73 2.06 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 1.12 0.90 0.91 0.00 0.00 76 C 9.14 4.60 0.00 2.88 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 77 P 0.00 3.95 0.00 2.14 2.21 0.00 3.87 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 2.11 0.00 78 A 6.45 4.45 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 79 C 8.05 4.77 0.00 2.88 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 80 G 8.30 3.69 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 0.00 0.00 0.00 81 K 8.94 4.00 0.00 1.97 2.20 0.00 1.80 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.39 7.81 82 P 0.00 4.47 0.00 2.12 1.98 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 83 T 8.39 4.56 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 1.21 0.00 0.00 84 R 9.00 4.90 0.00 1.82 1.83 0.00 3.10 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 85 V 8.19 4.98 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 0.83 0.00 0.00 0.94 0.00 0.00 86 R 8.96 4.80 0.00 1.90 1.72 0.00 3.14 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 87 K 8.71 4.01 0.00 2.04 2.08 0.00 1.82 0.00 0.00 1.99 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.64 7.81 88 K 8.49 4.04 0.00 1.98 2.11 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.50 7.81 89 F 8.46 4.10 0.00 3.00 3.31 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 90 L 7.52 5.43 0.00 1.82 1.78 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.93 4.30 0.00 1.98 1.75 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 2.26 2.40 0.00 92 N 7.74 4.94 0.00 2.76 2.66 0.00 0.00 6.86 7.86 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 93 G 8.55 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 0.00 0.00 0.00 0.00 94 K 8.52 5.07 0.00 1.65 1.74 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.70 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.46 7.81 95 K 8.63 4.83 0.00 1.66 1.64 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.37 7.81 96 I 8.18 4.55 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 1.40 0.59 0.91 0.00 0.00 97 R 7.96 3.78 0.00 1.91 2.01 0.00 3.18 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 98 V 8.45 3.12 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 0.75 0.00 0.00 0.93 0.00 0.00 99 C 8.39 5.79 0.00 3.01 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 0.00 100 A 6.85 3.83 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 0.00 101 K 8.60 4.75 0.00 1.84 1.82 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.19 1.15 7.81 *102 C 8.31 4.36 0.00 2.74 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 * Residues marked with a * may have inaccurate shift predictions.