NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 Q 4.2982 8.3293 121.7127 55.7303 29.8351 174.7981 5 T 4.1595 8.3969 115.8397 61.2715 70.4072 171.3116 6 K 5.0747 10.7800 126.1836 54.9046 35.9020 175.8481 7 I 5.0693 8.6998 128.3481 59.4872 40.1370 174.2066 8 L 4.6347 8.0942 128.7796 53.4179 44.0316 174.9564 9 I 4.6746 8.4178 127.1192 59.7749 39.8437 174.8050 10 I 4.5124 8.3206 130.0307 60.2821 38.4724 174.6652 11 D 4.4621 8.0310 123.3684 53.3851 44.4165 176.1618 12 G 3.7988 9.0850 114.4605 46.8494 0.0000 173.9578 13 D 4.6186 8.1569 120.7897 52.6109 40.0747 175.9236 14 K 4.0414 8.6255 125.5189 59.4548 32.5007 177.7616 15 D 4.4220 8.1410 117.4280 57.4817 41.3110 177.4541 16 N 4.2387 8.4296 117.5345 57.1247 38.8495 176.5369 17 C 4.0592 8.0552 117.7138 62.5809 28.1381 175.6716 18 Q 3.9161 8.0625 121.3426 59.0383 28.7092 178.1774 19 K 3.8936 7.9742 118.7072 59.5864 32.3333 179.0463 20 L 3.8478 8.0015 119.0751 57.6644 41.5735 179.2505 21 K 3.9011 8.3781 119.8859 59.6075 31.9829 178.6777 22 G 3.6411 8.1446 105.5274 48.0844 0.0000 174.6429 23 F 4.1643 8.2675 123.5758 61.4005 39.2551 177.3059 24 L 3.9238 8.2039 117.6441 56.8533 41.4372 179.3553 25 E 4.5544 7.9404 121.3259 58.7625 29.5373 178.2728 26 E 4.1718 8.6816 118.6959 58.5488 29.6282 177.8163 27 K 4.0952 7.3201 116.6668 55.9925 32.1455 177.5783 28 G 3.9109 8.3231 108.0103 45.2572 0.0000 173.3672 29 I 4.6400 7.7982 121.0865 59.3410 39.8058 175.0804 30 S 4.8054 8.3739 120.4763 57.8313 64.8200 173.0110 31 I 5.1182 8.3061 122.7254 59.8131 39.8388 174.5706 32 D 5.0914 8.7973 126.1824 52.8019 43.5070 175.4112 33 L 5.0980 8.4499 119.6718 52.9741 45.3037 175.8763 34 A 4.8432 8.2125 122.8448 50.5748 22.5422 176.2057 35 Y 4.4747 9.5210 118.3201 57.3409 39.1406 175.6592 36 N 4.6845 7.5736 116.6037 51.0020 40.8445 174.8642 37 C 4.0293 8.8891 119.1340 63.1195 28.1980 176.1755 38 E 4.0428 8.7554 120.1953 59.4410 29.2356 178.9784 39 E 3.9075 8.2307 118.2984 59.3214 29.8002 178.4088 40 A 3.9267 8.3018 121.0069 55.3471 18.1635 179.4843 41 I 3.6616 8.5405 119.2271 64.4531 37.2053 178.8549 42 G 3.7842 8.1553 106.3473 48.0289 0.0000 175.9919 43 K 4.1764 8.0397 121.1256 59.0074 31.7699 179.5637 44 I 3.8407 7.6665 119.6179 64.1536 37.0258 177.8453 45 F 4.6531 7.6599 116.7341 59.0677 39.1559 177.2205 46 S 4.6728 7.7000 112.3402 58.0736 63.4525 173.4431 47 N 4.7427 7.3979 117.4546 51.6310 42.5275 174.0800 48 K 4.2924 8.0930 119.9053 55.1093 33.1533 175.7971 49 Y 4.8012 8.2098 121.4557 56.8066 39.8207 175.4482 50 D 4.7276 9.0005 121.6883 56.3956 42.3054 177.0131 51 L 4.6177 7.6045 117.9827 53.8620 45.9464 174.0494 52 I 4.7685 8.6171 125.9044 59.4800 40.7102 174.3060 53 F 4.8000 8.9794 126.7769 56.2049 40.6479 174.6953 54 L 4.8789 8.8188 125.6782 53.1245 44.6830 175.3456 55 E 4.4479 8.4065 126.3591 55.3894 31.5766 176.7596 56 I 3.5440 7.9454 122.6958 63.2060 37.8757 176.1947 57 I 4.1021 7.7094 122.5384 60.8726 36.2274 175.1752 58 L 4.8869 8.0266 124.6040 52.5009 45.0174 177.2271 59 S 4.4153 8.5910 114.5011 60.1326 63.4710 174.4943 60 D 5.0045 9.0547 119.8690 50.7803 40.0503 176.7154 61 G 3.9801 7.1935 106.8024 46.4078 0.0000 172.3161 62 D 5.0513 7.8871 119.1495 50.6613 43.8905 176.1389 63 G 3.6047 8.8315 110.3210 47.1470 0.0000 176.1270 64 W 4.6038 7.8383 121.7498 59.4558 29.2877 178.6172 65 T 4.0076 8.7024 115.6967 66.7253 67.9467 176.5341 66 L 3.9632 8.2559 122.5524 58.3286 41.8218 178.3146 67 C 4.0123 8.3611 118.7365 62.4481 31.5051 175.3928 68 K 3.9109 7.8975 119.5039 59.5875 31.5273 178.9572 69 K 3.9120 7.7402 117.9839 59.7580 32.4434 178.4758 70 I 3.7229 8.3559 120.2538 64.4163 36.6514 178.4686 71 R 4.0315 8.9317 120.7021 59.2595 29.6877 177.2776 72 N 4.6858 8.1549 113.6643 54.3705 38.8980 174.9823 73 V 4.2851 7.3109 117.7965 64.2831 33.7261 175.3427 74 T 4.7192 7.9074 111.6336 60.3714 70.2504 173.4238 75 T 4.2419 8.3580 114.5932 62.0991 69.7266 174.4996 76 C 3.9106 7.8988 123.1024 59.4425 32.2897 171.8533 77 P 4.6056 0.0000 0.0000 62.8757 32.3856 175.0630 78 I 4.7533 8.9848 124.8728 59.3777 40.3115 174.5766 79 V 4.7008 8.5278 127.3781 61.3671 33.5989 175.3057 80 Y 5.1129 8.7957 126.7731 57.2749 40.2995 174.3867 *82 T 3.9625 8.2777 113.1322 62.8955 68.4431 175.0276 83 Y 4.1777 8.4906 121.3934 59.5520 38.5051 176.3752 84 I 3.8409 7.6331 121.2077 61.9581 37.1992 175.1789 85 N 5.0204 8.7299 122.2742 52.9856 39.7238 174.5857 86 E 4.1488 8.0644 117.4673 56.6512 31.2942 177.2453 87 D 4.2501 8.6597 123.3942 57.6058 41.0405 178.8097 88 Q 3.9037 8.0564 119.4666 59.1210 28.9472 178.3034 89 S 4.2653 7.9923 113.5638 61.6507 62.5567 175.9409 90 I 3.0330 7.1315 122.5216 64.0411 36.6970 178.3837 91 L 3.8828 7.8290 119.5917 57.8637 41.4486 179.0274 92 N 4.1361 8.0843 115.9991 56.3632 38.5331 177.0724 93 A 4.0005 8.5648 122.1738 55.3819 18.4569 179.7571 94 L 4.1352 8.1424 117.5806 58.1480 41.5032 179.6256 95 N 4.4612 8.5509 115.5412 56.1163 38.5238 177.3298 96 S 4.4428 8.2209 115.8641 59.4471 62.9880 174.2135 97 G 3.8007 7.4483 109.2859 45.0581 0.0000 174.4339 98 G 4.1224 8.0853 109.4136 45.5625 0.0000 173.3446 99 D 4.8378 9.3423 119.4612 55.2751 42.6152 176.3592 100 D 4.9929 7.9343 115.5755 52.6934 45.7531 173.5224 101 Y 5.0736 8.5506 121.7981 56.0754 41.3699 173.8880 102 L 4.8403 9.4959 128.2688 53.0982 43.8916 176.1867 103 I 4.5890 8.4259 124.8770 60.2433 37.9354 175.8123 104 K 4.3503 8.3123 127.3591 54.5783 34.4195 175.0024 105 P 4.0918 0.0000 0.0000 63.0779 31.5925 176.6888 106 L 3.9751 8.2381 123.0069 54.7043 42.3231 177.3200 107 N 4.6142 8.2364 120.3307 51.7297 38.8843 174.9359 108 L 3.4439 8.0750 128.0759 57.7229 41.7593 179.1596 109 E 4.0935 7.9415 117.5981 59.5995 29.4699 179.3132 110 I 3.8259 8.7001 120.2151 63.9258 37.0399 178.2832 111 L 3.9701 8.2954 121.8035 58.4694 41.9341 178.5146 112 Y 4.4501 8.3699 119.3496 60.4672 38.6149 177.9466 113 A 3.8047 7.8959 121.5927 55.1363 18.4907 179.7198 114 K 3.9278 8.3552 117.3569 59.4966 32.0597 179.7644 115 V 3.6490 8.1344 118.8592 66.0375 31.4467 178.2558 116 K 3.8361 8.1918 118.3600 59.3525 31.7364 179.2294 117 A 3.9716 8.2580 121.4618 55.1443 18.0534 179.8536 118 I 3.6844 7.8499 117.7496 64.4274 37.2836 178.4417 119 L 4.1199 7.8410 118.7386 57.6309 41.5795 178.7989 120 R 4.0867 7.9830 117.9881 59.5806 30.2587 179.0382 121 R 4.1735 7.6481 116.8502 56.5848 30.2278 176.4630 *123 N 4.8621 8.0654 111.7354 52.1376 40.1730 174.5767 124 S 4.3671 7.8261 118.0233 59.2932 63.7920 176.1543 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 4 Q 8.33 4.30 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 5 T 8.40 4.16 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 1.25 0.00 0.00 6 K 10.78 5.07 0.00 1.83 1.74 0.00 1.49 0.00 0.00 1.35 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.43 7.81 7 I 8.70 5.07 2.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.19 1.22 0.00 0.00 8 L 8.09 4.63 0.00 0.27 0.51 0.67 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.42 4.67 1.73 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.75 0.75 0.00 0.00 10 I 8.32 4.51 1.67 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.95 0.76 0.00 0.00 11 D 8.03 4.46 0.00 2.47 2.32 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 12 G 9.09 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 0.00 0.00 0.00 13 D 8.16 4.62 0.00 2.77 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 14 K 8.63 4.04 0.00 1.79 1.93 0.00 1.80 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.58 7.81 15 D 8.14 4.42 0.00 2.74 2.72 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 16 N 8.43 4.24 0.00 2.84 3.01 0.00 0.00 7.32 7.27 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 17 C 8.06 4.06 0.00 3.30 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 18 Q 8.06 3.92 0.00 2.30 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 19 K 7.97 3.89 0.00 1.77 1.81 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.52 1.68 7.81 20 L 8.00 3.85 0.00 1.74 1.54 0.45 0.48 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 21 K 8.38 3.90 0.00 1.90 1.97 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.49 7.81 22 G 8.14 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 23 F 8.27 4.16 0.00 3.18 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.20 3.92 0.00 1.78 1.73 0.87 0.93 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 25 E 7.94 4.55 0.00 2.33 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 2.28 2.15 0.00 26 E 8.68 4.17 0.00 1.86 1.86 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 2.22 2.38 0.00 27 K 7.32 4.10 0.00 1.33 1.37 0.00 0.97 0.00 0.00 0.61 0.00 0.00 2.25 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.82 7.81 28 G 8.32 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 29 I 7.80 4.64 2.02 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 1.36 1.10 1.02 0.00 0.00 30 S 8.37 4.81 0.00 3.94 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 31 I 8.31 5.12 1.89 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 1.39 0.85 0.90 0.00 0.00 32 D 8.80 5.09 0.00 2.73 2.65 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 0.00 0.00 0.00 33 L 8.45 5.10 0.00 1.58 1.27 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.21 4.84 1.09 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 0.00 0.00 35 Y 9.52 4.47 0.00 2.85 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 36 N 7.57 4.68 0.00 3.35 2.90 0.00 0.00 6.19 7.68 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 37 C 8.89 4.03 0.00 3.13 3.03 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 38 E 8.76 4.04 0.00 2.03 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 0.00 2.36 2.72 0.00 39 E 8.23 3.91 0.00 2.29 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 0.00 2.47 2.46 0.00 40 A 8.30 3.93 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 41 I 8.54 3.66 2.13 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 1.46 0.89 1.15 0.00 0.00 42 G 8.16 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 0.00 0.00 0.00 43 K 8.04 4.18 0.00 2.04 2.12 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.55 1.71 7.81 44 I 7.67 3.84 1.63 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 1.71 0.55 0.50 0.00 0.00 45 F 7.66 4.65 0.00 3.09 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 46 S 7.70 4.67 0.00 3.89 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 47 N 7.40 4.74 0.00 1.93 2.03 0.00 0.00 6.80 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.09 4.29 0.00 1.61 1.68 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.75 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.35 7.81 49 Y 8.21 4.80 0.00 2.90 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 50 D 9.00 4.73 0.00 2.58 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 51 L 7.60 4.62 0.00 1.65 1.39 0.87 0.05 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 52 I 8.62 4.77 1.66 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 0.85 0.44 0.70 0.00 0.00 53 F 8.98 4.80 0.00 2.94 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 54 L 8.82 4.88 0.00 1.27 0.79 0.67 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.41 4.45 0.00 2.03 1.77 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 2.32 2.34 0.00 56 I 7.95 3.54 1.54 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.56 -0.25 0.00 0.00 57 I 7.71 4.10 1.85 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 1.44 0.76 0.92 0.00 0.00 58 L 8.03 4.89 0.00 1.74 1.51 0.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.59 4.42 0.00 3.99 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 60 D 9.05 5.00 0.00 2.77 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 61 G 7.19 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 0.00 0.00 0.00 62 D 7.89 5.05 0.00 2.90 2.83 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 63 G 8.83 3.60 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 0.00 64 W 7.84 4.60 0.00 3.81 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 65 T 8.70 4.01 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 66 L 8.26 3.96 0.00 1.78 1.60 0.89 0.91 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 67 C 8.36 4.01 0.00 3.28 3.26 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 68 K 7.90 3.91 0.00 2.01 1.92 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.80 7.81 69 K 7.74 3.91 0.00 1.97 1.98 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.54 7.81 70 I 8.36 3.72 1.90 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.52 0.80 0.00 0.00 71 R 8.93 4.03 0.00 1.88 2.12 0.00 3.15 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 72 N 8.15 4.69 0.00 2.79 3.10 0.00 0.00 6.95 7.22 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 73 V 7.31 4.29 2.12 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 0.70 0.00 0.00 1.06 0.00 0.00 74 T 7.91 4.72 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 1.25 0.00 0.00 75 T 8.36 4.24 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 76 C 7.90 3.91 0.00 3.08 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 77 P 0.00 4.61 0.00 2.02 1.90 0.00 3.83 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 78 I 8.98 4.75 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.05 0.67 0.00 0.00 79 V 8.53 4.70 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 0.89 0.00 0.00 0.76 0.00 0.00 80 Y 8.80 5.11 0.00 2.56 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 0.00 0.00 0.00 0.00 *82 T 8.28 3.96 4.02 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 1.00 0.00 0.00 83 Y 8.49 4.18 0.00 3.04 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 84 I 7.63 3.84 2.08 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 1.31 0.55 1.14 0.00 0.00 85 N 8.73 5.02 0.00 2.88 2.82 0.00 0.00 7.26 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 86 E 8.06 4.15 0.00 2.08 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 2.49 2.42 0.00 87 D 8.66 4.25 0.00 2.64 2.65 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 0.00 0.00 0.00 88 Q 8.06 3.90 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 89 S 7.99 4.27 0.00 4.23 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 90 I 7.13 3.03 1.69 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 -0.30 -0.36 0.61 0.00 0.00 91 L 7.83 3.88 0.00 1.81 1.64 0.86 0.39 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 92 N 8.08 4.14 0.00 2.65 2.30 0.00 0.00 6.99 6.70 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 93 A 8.56 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.14 4.14 0.00 1.85 1.73 0.88 0.79 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 95 N 8.55 4.46 0.00 2.69 2.88 0.00 0.00 7.11 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 96 S 8.22 4.44 0.00 4.24 4.11 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 0.00 0.00 0.00 97 G 7.45 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 0.00 0.00 0.00 98 G 8.09 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 0.00 0.00 0.00 0.00 99 D 9.34 4.84 0.00 2.61 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.93 4.99 0.00 2.69 2.49 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 0.00 101 Y 8.55 5.07 0.00 2.89 2.64 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 0.00 102 L 9.50 4.84 0.00 1.47 1.56 1.04 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.43 4.59 1.93 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.62 0.98 0.00 0.00 104 K 8.31 4.35 0.00 1.38 1.46 0.00 0.61 0.00 0.00 1.04 0.00 0.00 2.64 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.72 0.21 7.81 105 P 0.00 4.09 0.00 2.09 2.11 0.00 3.79 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.40 0.00 106 L 8.24 3.98 0.00 1.47 1.43 0.77 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 107 N 8.24 4.61 0.00 2.70 2.66 0.00 0.00 7.03 6.66 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 0.00 108 L 8.07 3.44 0.00 1.09 0.13 0.69 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 109 E 7.94 4.09 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 2.46 2.42 0.00 110 I 8.70 3.83 1.86 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 1.42 0.84 0.92 0.00 0.00 111 L 8.30 3.97 0.00 1.66 1.70 0.52 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 112 Y 8.37 4.45 0.00 3.57 3.21 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 0.00 113 A 7.90 3.80 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 0.00 114 K 8.36 3.93 0.00 2.01 1.92 0.00 1.71 0.00 0.00 1.59 0.00 0.00 3.15 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.62 1.64 7.81 115 V 8.13 3.65 2.46 0.00 0.00 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 1.39 0.00 0.00 116 K 8.19 3.84 0.00 1.76 1.68 0.00 1.49 0.00 0.00 1.25 0.00 0.00 2.13 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.11 0.60 7.81 117 A 8.26 3.97 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 0.00 118 I 7.85 3.68 1.98 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.74 0.88 0.00 0.00 119 L 7.84 4.12 0.00 1.63 1.74 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 120 R 7.98 4.09 0.00 2.06 2.09 0.00 3.24 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 1.64 1.65 0.00 121 R 7.65 4.17 0.00 1.88 2.09 0.00 3.17 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 *123 N 8.07 4.86 0.00 2.96 2.87 0.00 0.00 6.93 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 7.83 4.37 0.00 3.80 3.87 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 * Residues marked with a * may have inaccurate shift predictions.