NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0515 8.0549 120.3970 62.7348 32.6953 174.3869 3 S 4.6275 8.5909 122.9886 56.6851 64.1819 172.3241 4 R 4.7852 8.4596 123.3496 54.2414 34.4143 174.0098 5 Y 4.3689 8.6895 122.7596 57.3667 39.5346 174.4719 6 V 3.6986 7.6145 126.0748 59.6671 34.3643 173.3155 7 P 4.2390 0.0000 0.0000 62.0179 32.1823 175.0172 8 D 5.0989 8.7888 119.9952 52.2043 43.2844 175.7679 9 M 4.2352 8.4324 120.9207 57.5335 32.6026 176.8415 10 G 4.0316 9.4619 114.6188 45.2735 0.0000 173.0720 11 D 4.8287 8.0676 120.1752 54.2951 42.4520 175.0434 12 L 5.0744 8.8837 125.0881 53.6624 43.6884 175.3300 13 I 5.0762 9.0011 119.6479 58.9473 41.7999 174.1669 14 W 5.3716 9.1419 123.3326 55.2791 31.1372 175.2553 15 V 4.7062 9.0035 126.1123 61.7956 32.5524 175.0303 16 D 5.3098 8.8300 127.6292 53.9880 42.3599 175.5328 17 F 4.9230 7.5013 112.9832 55.7337 41.0869 173.3435 18 D 4.2684 9.0052 121.5035 55.1561 41.1991 172.6393 19 P 3.6509 0.0000 0.0000 65.9335 30.1117 177.3942 *27 G 3.0652 9.3566 117.6109 46.4263 0.0000 172.0430 28 H 4.7970 7.1175 117.9514 54.8122 31.1587 173.5756 29 R 4.7897 8.7562 119.5053 53.9485 33.2545 173.5637 30 P 5.3724 0.0000 0.0000 62.7150 32.9745 175.0818 31 A 5.1483 9.2914 123.8316 50.8161 23.5545 174.9283 32 V 4.7110 8.7969 120.1748 61.1012 33.8579 175.2160 33 V 4.3387 8.8481 128.9765 63.0577 31.9836 176.1901 34 L 4.9076 9.2940 127.3771 54.8896 43.3922 176.9549 35 S 4.6811 7.9678 112.6011 55.8890 65.1119 172.5903 36 P 4.5717 0.0000 0.0000 62.1751 33.4399 176.7955 37 F 4.1634 8.8514 122.9197 61.2180 39.1679 177.2808 38 M 3.8128 8.2366 116.8235 58.7997 32.0963 177.3825 39 Y 3.9550 7.9521 118.9906 60.8054 39.1170 177.3622 40 N 5.3181 8.4838 119.0929 55.9733 38.3877 176.9758 41 N 4.3080 8.0206 117.7479 56.4426 39.0505 176.6700 42 K 3.9960 7.7867 120.3217 59.1193 32.3933 178.1735 43 T 4.1352 7.6233 108.2241 61.1614 69.7747 176.0346 44 G 3.3675 8.0836 109.3381 45.3472 0.0000 172.3001 45 M 5.5191 7.6609 118.9095 53.8278 36.0323 174.3182 46 C 5.4703 9.1000 113.4620 57.5637 33.6339 172.7722 47 L 5.2176 8.9138 121.3780 54.1286 43.5323 175.5099 48 C 5.0517 8.9844 116.7492 57.5864 33.9463 172.7165 49 V 4.9116 8.5703 111.6119 58.7743 35.0682 174.2103 50 P 4.9950 0.0000 0.0000 63.0965 32.8293 174.7825 51 C 5.4417 8.5903 118.4065 58.8105 31.1877 173.1834 52 T 4.8122 8.6989 114.3321 61.4215 70.4863 174.4329 53 T 4.2515 8.6557 115.7301 62.7967 70.0748 175.5522 54 Q 4.3484 7.8269 124.1273 54.8272 27.1936 175.7359 55 S 4.4148 7.6602 113.4098 58.1896 64.3407 175.1629 56 K 4.4502 9.4191 121.0187 55.5581 33.6299 177.2242 57 G 3.9348 8.6946 107.2045 45.5282 0.0000 173.3531 58 Y 4.3491 8.1057 120.9371 56.7370 39.2350 175.4973 59 P 4.0507 0.0000 0.0000 65.4224 31.5381 176.9386 60 F 4.2898 7.1335 115.8567 57.3906 39.2489 174.8516 61 E 4.8125 8.1260 121.5577 56.3049 30.2470 176.5489 62 V 4.3918 8.6423 123.1359 60.7810 34.4794 174.8338 63 V 4.1390 8.6283 128.4929 63.0333 32.2606 174.8388 64 L 4.8278 8.5422 128.0741 53.3688 41.6405 176.7342 65 S 4.5705 9.9598 121.0645 57.2923 64.6016 173.8891 66 G 4.0597 8.3812 106.9303 47.0481 0.0000 173.0690 67 Q 4.6419 7.1162 115.4002 53.0584 31.6811 176.1362 68 E 4.1127 8.9002 116.8162 58.8965 29.3995 177.4380 69 R 4.7610 7.5733 113.2828 53.3556 32.3621 174.6884 70 D 4.5108 8.5933 119.1948 54.4638 41.7286 175.8696 71 G 4.1551 7.8866 108.4145 46.2326 0.0000 172.0406 72 V 5.2415 8.5191 111.8554 59.4832 36.4038 174.9212 73 A 4.8471 8.9713 125.3755 51.0985 21.0296 176.8340 74 L 4.9047 8.9958 123.0489 53.0467 41.1492 177.2850 75 A 4.1113 9.0958 128.2232 54.8935 18.6057 178.5510 76 D 4.3981 8.2017 112.8039 54.7538 40.1350 176.3778 77 Q 4.6186 7.6402 120.2905 54.9358 27.9773 176.5727 78 V 3.8647 7.7967 118.1930 63.8238 32.4966 175.4691 79 K 4.6274 9.3987 128.1046 54.8847 35.9939 174.5855 80 S 5.0927 8.8344 122.5754 57.5203 63.2276 172.9668 81 I 4.6456 9.0886 120.8916 58.7648 40.9153 175.3014 82 A 4.9876 8.3741 127.1962 50.4765 16.0514 178.0315 83 W 4.2725 8.0475 122.0818 59.0242 28.3845 178.6636 84 R 3.0676 5.9132 117.9585 58.7069 29.4140 178.0285 85 A 4.0188 7.4009 119.0340 55.2318 18.5467 179.4005 86 R 4.0776 7.9121 115.7891 57.0485 31.0969 177.4034 87 G 3.9265 8.4355 105.5481 45.7695 0.0000 173.4656 88 A 4.6556 8.0309 119.7872 52.5979 19.8006 177.3925 89 T 4.5902 8.5793 116.3699 61.3557 72.3984 173.3689 90 K 4.0905 7.6699 126.8040 56.1636 32.2767 176.3898 91 K 3.9988 9.4495 126.1573 55.4581 34.2700 177.1785 92 G 3.9077 6.9087 105.8627 46.2397 0.0000 170.9058 93 T 5.0614 7.9335 109.4039 60.3983 71.9431 174.1446 94 V 4.3364 8.4213 116.3350 59.9829 33.6135 175.9752 95 A 4.1543 9.0585 124.5756 51.3492 19.2172 177.0314 96 P 4.1814 0.0000 0.0000 66.1156 31.3847 179.1294 97 E 4.0327 8.1183 116.6071 59.2945 29.4082 179.1239 98 E 3.9836 8.0018 118.3849 59.2682 29.5883 178.8942 99 L 4.0048 8.1405 120.4821 58.1595 42.0331 179.0450 100 Q 3.9949 8.2338 118.1468 58.8885 28.6229 178.7347 101 L 3.9836 7.9648 120.0533 57.7101 41.6597 179.5607 102 I 3.7285 7.9054 119.7428 64.5219 37.1046 178.7067 103 K 4.0266 8.3545 119.1600 59.3741 31.5979 179.3602 104 A 4.0615 8.1281 120.6378 54.9411 18.4348 179.5371 105 K 4.1433 8.1669 117.2030 59.5368 32.2107 179.6414 106 I 3.7902 8.0293 120.2363 64.3936 37.0236 177.8853 107 N 4.3331 8.3054 117.9208 56.6800 38.4432 177.0551 108 V 3.6805 7.5483 119.1723 65.3704 31.6253 177.2314 109 L 4.5027 7.8871 117.8363 55.6788 42.1543 177.3887 110 I 4.6099 7.3255 107.9757 60.1153 38.7558 175.2925 111 G 3.7314 8.1731 115.7334 46.2970 0.0000 173.9561 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 V 8.05 4.05 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 1.02 0.00 0.00 0.95 0.00 0.00 3 S 8.59 4.63 0.00 4.01 3.82 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 0.00 0.00 0.00 4 R 8.46 4.79 0.00 1.85 1.93 0.00 3.47 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 5 Y 8.69 4.37 0.00 3.01 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 6 V 7.61 3.70 2.25 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 0.58 0.00 0.00 1.05 0.00 0.00 7 P 0.00 4.24 0.00 1.95 1.74 0.00 2.20 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 1.14 0.66 0.00 8 D 8.79 5.10 0.00 3.04 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 9 M 8.43 4.24 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.63 0.00 10 G 9.46 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 11 D 8.07 4.83 0.00 2.78 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 12 L 8.88 5.07 0.00 1.73 1.52 1.04 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 13 I 9.00 5.08 2.10 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 1.49 0.93 1.08 0.00 0.00 14 W 9.14 5.37 0.00 3.21 2.97 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 15 V 9.00 4.71 2.34 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 1.20 0.00 0.00 1.10 0.00 0.00 16 D 8.83 5.31 0.00 2.86 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 17 F 7.50 4.92 0.00 2.96 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 18 D 9.01 4.27 0.00 2.77 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 19 P 0.00 3.65 0.00 2.05 1.70 0.00 3.92 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 *27 G 9.36 3.07 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 28 H 7.12 4.80 0.00 2.95 3.14 0.00 5.67 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.76 4.79 0.00 1.86 1.93 0.00 3.26 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 30 P 0.00 5.37 0.00 2.22 2.26 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 2.22 2.14 0.00 31 A 9.29 5.15 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 32 V 8.80 4.71 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 0.95 0.00 0.00 0.98 0.00 0.00 33 V 8.85 4.34 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 0.82 0.00 0.00 1.00 0.00 0.00 34 L 9.29 4.91 0.00 1.61 1.68 0.94 1.13 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 35 S 7.97 4.68 0.00 3.91 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 36 P 0.00 4.57 0.00 2.37 2.26 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.04 0.00 37 F 8.85 4.16 0.00 3.34 3.15 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 38 M 8.24 3.81 0.00 2.20 2.17 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 2.69 2.62 0.00 39 Y 7.95 3.95 0.00 3.14 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 40 N 8.48 5.32 0.00 2.68 2.67 0.00 0.00 6.20 7.35 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 41 N 8.02 4.31 0.00 1.60 2.42 0.00 0.00 7.21 6.65 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 42 K 7.79 4.00 0.00 1.75 1.70 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.37 7.81 43 T 7.62 4.14 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 0.72 0.00 0.00 44 G 8.08 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 0.00 0.00 0.00 45 M 7.66 5.52 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.67 0.00 46 C 9.10 5.47 0.00 3.16 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 47 L 8.91 5.22 0.00 1.59 1.61 0.81 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 48 C 8.98 5.05 0.00 3.17 3.08 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 49 V 8.57 4.91 2.30 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 0.79 0.00 0.00 1.03 0.00 0.00 50 P 0.00 4.99 0.00 2.15 2.21 0.00 3.84 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 51 C 8.59 5.44 0.00 2.95 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 52 T 8.70 4.81 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 1.24 0.00 0.00 53 T 8.66 4.25 4.27 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 1.31 0.00 0.00 54 Q 7.83 4.35 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 55 S 7.66 4.41 0.00 4.01 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 56 K 9.42 4.45 0.00 1.75 1.86 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.36 1.53 7.81 57 G 8.69 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 58 Y 8.11 4.35 0.00 2.97 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 59 P 0.00 4.05 0.00 1.62 1.90 0.00 3.35 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 1.33 1.73 0.00 60 F 7.13 4.29 0.00 3.26 3.20 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 61 E 8.13 4.81 0.00 2.10 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 2.49 2.54 0.00 62 V 8.64 4.39 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 1.10 0.00 0.00 0.99 0.00 0.00 63 V 8.63 4.14 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 0.85 0.00 0.00 0.95 0.00 0.00 64 L 8.54 4.83 0.00 1.59 1.60 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 65 S 9.96 4.57 0.00 3.84 3.78 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 66 G 8.38 4.06 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 0.00 0.00 0.00 67 Q 7.12 4.64 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 68 E 8.90 4.11 0.00 2.09 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 2.30 2.37 0.00 69 R 7.57 4.76 0.00 1.95 1.97 0.00 3.12 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 70 D 8.59 4.51 0.00 2.69 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 71 G 7.89 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 72 V 8.52 5.24 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 0.73 0.00 0.00 0.99 0.00 0.00 73 A 8.97 4.85 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 74 L 9.00 4.90 0.00 1.64 1.73 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 75 A 9.10 4.11 1.56 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 0.00 0.00 76 D 8.20 4.40 0.00 2.33 1.63 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.64 4.62 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 78 V 7.80 3.86 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 0.74 0.00 0.00 0.98 0.00 0.00 79 K 9.40 4.63 0.00 1.83 1.60 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.47 7.81 80 S 8.83 5.09 0.00 3.98 3.80 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 81 I 9.09 4.65 1.99 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.94 1.00 0.00 0.00 82 A 8.37 4.99 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 83 W 8.05 4.27 0.00 3.75 3.47 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 0.00 84 R 5.91 3.07 0.00 0.67 1.10 0.00 2.87 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.21 0.00 85 A 7.40 4.02 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 86 R 7.91 4.08 0.00 1.97 2.22 0.00 3.26 0.00 0.00 3.50 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.77 0.00 87 G 8.44 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 88 A 8.03 4.66 1.60 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 0.00 0.00 89 T 8.58 4.59 4.28 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 1.05 0.00 0.00 90 K 7.67 4.09 0.00 0.79 1.14 0.00 1.79 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.20 1.32 7.81 91 K 9.45 4.00 0.00 1.38 1.32 0.00 1.23 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.78 0.21 7.81 92 G 6.91 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 0.00 0.00 0.00 93 T 7.93 5.06 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 1.25 0.00 0.00 94 V 8.42 4.34 2.25 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 0.68 0.00 0.00 1.00 0.00 0.00 95 A 9.06 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 96 P 0.00 4.18 0.00 2.16 2.13 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 97 E 8.12 4.03 0.00 1.98 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 2.40 2.34 0.00 98 E 8.00 3.98 0.00 2.16 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 0.00 2.41 2.37 0.00 99 L 8.14 4.00 0.00 1.77 1.80 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 8.23 3.99 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 101 L 7.96 3.98 0.00 1.87 1.71 0.92 0.87 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 0.00 102 I 7.91 3.73 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.04 0.96 0.00 0.00 103 K 8.35 4.03 0.00 1.94 1.87 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.62 7.81 104 A 8.13 4.06 1.36 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 0.00 105 K 8.17 4.14 0.00 2.06 2.00 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.75 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.62 7.81 106 I 8.03 3.79 2.05 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 1.58 1.08 0.93 0.00 0.00 107 N 8.31 4.33 0.00 2.93 3.01 0.00 0.00 6.83 7.84 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 0.00 108 V 7.55 3.68 2.44 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 1.00 0.00 0.00 0.94 0.00 0.00 109 L 7.89 4.50 0.00 1.77 1.65 0.37 0.59 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 0.00 110 I 7.33 4.61 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 1.50 0.66 0.90 0.00 0.00 111 G 8.17 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 * Residues marked with a * may have inaccurate shift predictions.