NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.3687 8.1227 122.4566 52.1892 19.0960 175.6501 4 V 4.5269 7.6616 120.7073 60.6283 34.1928 174.0471 5 T 4.8730 9.9011 125.6023 61.9479 72.3418 172.7231 6 Q 4.8092 8.4861 122.1605 54.2836 31.8402 174.6656 7 S 4.0610 9.6025 119.5528 61.4736 61.0630 172.5722 8 P 4.4021 0.0000 0.0000 61.3012 31.4597 177.3605 9 R 3.9077 8.5985 123.5779 57.6834 30.6080 174.9769 10 N 4.9981 7.2926 112.3777 53.1647 42.7898 173.5478 11 K 4.6627 8.8376 126.9332 54.8078 36.4390 174.8228 12 V 4.7231 8.4839 125.4510 61.3375 34.1327 173.8740 13 A 4.9440 8.8760 129.7033 50.2772 22.9235 174.1520 14 V 5.4246 8.3625 116.2954 60.2613 34.8618 175.6110 15 T 3.9394 8.4894 121.4398 65.7649 68.6688 173.7747 16 G 4.0038 8.8106 113.8858 45.2225 0.0000 173.3040 17 E 3.9791 8.2133 120.6455 56.3522 30.9609 176.2398 18 K 5.3021 8.2642 126.6730 54.4818 31.0148 175.2575 19 V 3.7823 7.6942 124.5571 62.6009 33.3623 174.8081 20 T 4.7217 8.0785 122.6921 61.9950 71.1251 172.8937 21 L 4.4381 8.0797 127.1466 53.8592 43.3328 176.3836 22 S 5.3180 10.0195 118.0930 56.8068 66.7381 171.8622 23 C 5.6760 9.2375 119.8567 55.2315 45.3696 172.0554 24 N 6.1492 9.5381 120.5285 51.9572 42.4616 173.0870 25 Q 4.8227 8.5825 122.8748 55.1765 31.2870 175.0026 26 T 4.2747 8.2712 119.4622 64.3044 69.2728 176.3237 27 N 4.1424 8.0733 118.1546 54.0112 38.7831 173.8175 28 N 4.0962 7.5113 115.1938 54.7451 37.7877 173.4773 29 H 4.8929 8.3348 113.0349 55.0285 30.4930 175.7655 30 N 4.6157 8.6895 118.9240 55.7583 39.4798 175.5699 31 N 5.5110 8.1925 115.6752 51.8722 40.7336 174.6412 32 M 5.3561 7.6026 120.3291 54.0450 36.8272 173.6270 33 Y 5.5861 9.5885 119.3202 56.2178 43.2657 174.3251 34 W 5.4858 9.4218 120.8368 55.6364 32.5841 174.4569 35 Y 5.5933 9.9852 123.1790 55.8386 41.5744 174.5504 36 R 4.4801 8.4336 114.4000 55.7540 32.4233 173.5855 37 Q 5.4420 9.0648 125.9128 54.2335 31.1466 174.0010 38 D 4.9625 8.4522 124.6345 52.6462 45.7537 174.6285 39 T 3.9637 8.7419 119.5912 66.4704 68.5425 174.2482 40 G 3.9921 9.6517 114.8634 45.5701 0.0000 172.9156 41 H 4.8583 8.1769 113.7930 53.7572 32.4320 175.5121 42 G 3.6464 7.6705 108.4857 46.8284 0.0000 174.5158 43 L 4.8775 8.4374 124.1705 53.1290 43.0734 175.7070 44 R 4.7333 8.3938 120.3474 54.0175 33.6428 174.6576 45 L 3.6556 8.7096 127.1488 55.5211 42.9439 176.3372 46 I 4.1842 9.1177 126.2651 62.7774 39.2967 175.0560 47 Y 5.3734 7.8854 117.9387 57.0042 42.7398 173.0891 48 Y 5.4618 8.9285 119.4391 56.2068 42.5207 173.2887 49 S 4.2710 8.2120 112.7409 56.8483 66.0119 173.7833 50 Y 4.4402 8.6848 122.7550 57.4247 38.2378 175.6933 51 G 3.7036 8.2666 109.6849 46.2041 0.0000 171.9692 52 A 4.5538 7.3537 121.3483 52.6621 21.8865 178.9162 53 G 4.2767 7.5597 104.3432 44.0283 0.0000 172.5417 54 S 4.8326 7.9001 113.2696 57.1445 64.7506 173.5445 55 T 4.6640 7.8521 118.8929 62.8864 72.4798 172.8075 56 E 4.5594 8.8831 125.4206 54.1544 34.0491 175.0760 57 K 3.3211 8.4155 122.4781 55.2696 32.7255 177.0119 58 G 4.1924 8.3335 117.3089 47.0509 0.0000 175.1874 59 D 4.6813 9.3442 123.4366 56.0927 41.5040 176.8045 60 I 4.5032 7.5680 111.6623 58.2810 37.1578 172.7931 61 P 4.7598 0.0000 0.0000 64.1467 32.4247 177.1534 62 D 4.4059 8.1306 119.9227 56.0647 41.3765 176.8043 63 G 3.6363 8.7973 111.8368 45.7639 0.0000 172.1784 *65 Y 5.2728 7.2406 115.2873 58.4761 39.6054 174.5963 66 K 4.0085 8.2237 117.5558 55.3595 37.0447 175.4004 67 A 4.9649 7.4707 125.6263 50.3814 22.4435 175.6544 68 S 4.4190 8.7229 113.2508 57.4916 66.1458 173.1509 69 R 5.7041 9.0428 128.4056 53.1413 29.5345 173.9848 70 P 4.4607 0.0000 0.0000 64.0023 32.3233 177.0334 71 S 4.5881 7.8665 111.7163 57.3982 65.0776 176.1129 72 Q 3.8807 8.7826 121.0905 58.7996 28.5807 178.4281 73 E 4.5040 8.1842 112.6414 55.8952 30.8889 174.2847 74 N 5.6525 8.3395 118.6009 50.7884 41.6143 173.3032 75 F 5.8142 8.9816 125.7683 56.6316 42.8534 173.2593 76 S 5.3880 9.3211 120.8919 56.4538 66.2140 172.5521 77 L 4.5033 8.1433 124.0219 53.4298 44.1430 175.1682 78 T 4.7996 8.6423 121.7974 61.7078 72.8695 172.7325 79 L 4.7040 8.6584 126.6064 52.9247 43.4830 176.7699 80 E 4.1713 8.6770 122.7697 56.4155 29.9081 177.5351 81 S 4.7865 7.8796 107.3540 58.1046 64.1441 174.7017 82 A 4.0653 7.9310 127.0429 51.5801 19.9433 177.2798 83 T 4.8951 8.3265 115.7727 61.0196 72.9647 173.7859 84 P 4.3830 0.0000 0.0000 65.6956 31.4969 178.6381 85 S 4.3373 8.0731 110.8472 60.2496 62.9790 174.4817 86 Q 4.6340 8.1829 120.1488 56.2000 28.4881 176.3215 87 T 4.4614 7.6056 116.3282 62.4131 67.6291 173.7674 88 S 4.4689 8.1852 122.0952 57.4838 66.0730 171.6416 89 V 4.8566 7.6578 119.9755 61.8356 33.0928 175.4572 90 Y 4.8656 9.4426 127.3424 57.0173 39.7518 174.6567 91 F 5.2487 8.9608 123.5009 56.0202 41.4987 174.4572 92 C 4.6898 9.3931 124.2552 55.9883 42.2522 171.8951 93 A 5.3106 8.7155 123.4197 51.3899 22.9467 175.2936 94 S 5.1763 9.1410 113.3523 57.5401 67.2068 173.4998 95 G 4.0801 8.7444 107.4685 45.6430 0.0000 171.9407 96 D 4.8516 8.5478 119.2742 53.3916 42.1475 175.8878 97 A 5.0358 7.9518 124.2447 51.4256 18.6161 178.0219 98 G 3.9303 8.1310 110.3997 45.6837 0.0000 172.3517 99 G 4.1887 8.1147 105.9161 46.3734 0.0000 173.9013 100 G 3.6241 7.5755 108.7019 45.6981 0.0000 172.6856 *104 Y 5.0286 7.4778 115.3113 57.1148 38.9947 174.7510 105 E 3.8555 8.6576 123.0655 56.4501 30.3393 175.8705 106 Q 4.3765 7.9341 123.5935 54.1754 31.2039 174.3413 107 Y 4.5761 8.6260 121.8201 56.6147 39.6492 175.1681 108 F 5.2652 8.8491 123.0915 56.4572 41.2887 176.4785 109 G 4.2218 8.6070 108.8185 44.9889 0.0000 171.5439 110 P 4.5030 0.0000 0.0000 66.3154 31.6754 175.3017 111 G 3.4154 7.6149 102.2893 43.7089 0.0000 172.5003 112 T 4.4893 7.6270 112.3347 63.6652 72.7758 172.9640 113 R 4.8264 8.5244 127.8253 55.3060 31.7962 174.6591 114 L 5.7104 9.2074 127.3262 52.5840 45.9791 175.1090 115 T 4.7056 8.3498 120.6222 62.3673 72.3522 174.7657 116 V 4.2851 8.2528 117.0992 61.3661 32.9544 176.3707 117 L 4.0145 7.8724 122.4055 55.1830 41.2148 174.1945 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 3 A 8.12 4.37 1.23 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 0.00 0.00 4 V 7.66 4.53 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 0.88 0.00 0.00 1.00 0.00 0.00 5 T 9.90 4.87 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 1.26 0.00 0.00 6 Q 8.49 4.81 0.00 2.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.06 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 7 S 9.60 4.06 0.00 3.86 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 8 P 0.00 4.40 0.00 2.19 2.01 0.00 3.60 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 2.06 2.04 0.00 9 R 8.60 3.91 0.00 1.84 1.93 0.00 3.40 0.00 0.00 3.49 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.59 0.00 10 N 7.29 5.00 0.00 2.80 2.63 0.00 0.00 6.83 6.56 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 11 K 8.84 4.66 0.00 1.78 1.51 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.48 7.81 12 V 8.48 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 0.85 0.00 0.00 0.93 0.00 0.00 13 A 8.88 4.94 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 14 V 8.36 5.42 2.06 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 1.19 0.00 0.00 0.91 0.00 0.00 15 T 8.49 3.94 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 1.22 0.00 0.00 16 G 8.81 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 0.00 0.00 0.00 17 E 8.21 3.98 0.00 2.07 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 2.25 2.22 0.00 18 K 8.26 5.30 0.00 1.74 1.66 0.00 1.60 0.00 0.00 2.24 0.00 0.00 2.81 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.28 1.19 7.81 19 V 7.69 3.78 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 0.83 0.00 0.00 0.84 0.00 0.00 20 T 8.08 4.72 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 1.15 0.00 0.00 21 L 8.08 4.44 0.00 0.90 1.40 0.39 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 22 S 10.02 5.32 0.00 3.83 3.97 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 23 C 9.24 5.68 0.00 2.98 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 24 N 9.54 6.15 0.00 2.87 2.62 0.00 0.00 6.60 6.69 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 25 Q 8.58 4.82 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.46 0.00 26 T 8.27 4.27 4.20 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 1.18 0.00 0.00 27 N 8.07 4.14 0.00 2.61 2.33 0.00 0.00 6.90 8.00 0.00 0.00 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 N 7.51 4.10 0.00 2.81 2.79 0.00 0.00 7.13 7.48 0.00 0.00 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 H 8.33 4.89 0.00 3.42 3.40 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.69 4.62 0.00 2.61 2.90 0.00 0.00 6.93 8.00 0.00 0.00 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 N 8.19 5.51 0.00 3.15 2.57 0.00 0.00 6.41 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 32 M 7.60 5.36 0.00 1.74 1.27 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 33 Y 9.59 5.59 0.00 3.08 2.74 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 0.00 0.00 0.00 0.00 34 W 9.42 5.49 0.00 3.49 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 35 Y 9.99 5.59 0.00 3.23 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.43 4.48 0.00 1.23 1.20 0.00 2.86 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 37 Q 9.06 5.44 0.00 2.41 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 38 D 8.45 4.96 0.00 2.65 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 39 T 8.74 3.96 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 40 G 9.65 3.99 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 0.00 0.00 0.00 41 H 8.18 4.86 0.00 3.07 3.28 0.00 5.82 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.67 3.65 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 0.00 0.00 0.00 43 L 8.44 4.88 0.00 1.55 1.62 0.55 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.39 4.73 0.00 1.79 1.81 0.00 3.16 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 45 L 8.71 3.66 0.00 1.48 1.61 0.54 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 46 I 9.12 4.18 2.02 0.00 0.00 0.58 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 0.70 0.72 0.00 0.00 47 Y 7.89 5.37 0.00 3.02 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 48 Y 8.93 5.46 0.00 2.49 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 49 S 8.21 4.27 0.00 3.25 2.82 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 50 Y 8.68 4.44 0.00 2.95 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 51 G 8.27 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 0.00 0.00 0.00 52 A 7.35 4.55 1.22 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 53 G 7.56 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 0.00 0.00 0.00 0.00 54 S 7.90 4.83 0.00 3.93 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.85 4.66 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 1.36 0.00 0.00 56 E 8.88 4.56 0.00 1.16 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 0.00 0.00 0.00 1.47 1.64 0.00 57 K 8.42 3.32 0.00 1.48 1.46 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.00 1.31 7.81 58 G 8.33 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 0.00 0.00 0.00 59 D 9.34 4.68 0.00 2.57 2.74 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 0.00 0.00 0.00 0.00 60 I 7.57 4.50 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 1.47 0.95 0.96 0.00 0.00 61 P 0.00 4.76 0.00 2.27 1.95 0.00 3.80 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.89 0.00 62 D 8.13 4.41 0.00 2.76 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 63 G 8.80 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 *65 Y 7.24 5.27 0.00 3.13 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 66 K 8.22 4.01 0.00 1.51 1.45 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.32 7.81 67 A 7.47 4.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.72 4.42 0.00 3.87 3.68 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 69 R 9.04 5.70 0.00 2.01 1.76 0.00 3.29 0.00 0.00 3.52 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.94 0.00 70 P 0.00 4.46 0.00 2.25 2.20 0.00 4.31 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 71 S 7.87 4.59 0.00 4.08 3.96 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 72 Q 8.78 3.88 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 73 E 8.18 4.50 0.00 2.18 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 2.30 2.26 0.00 74 N 8.34 5.65 0.00 2.73 2.84 0.00 0.00 6.58 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 75 F 8.98 5.81 0.00 2.98 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 76 S 9.32 5.39 0.00 3.94 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 77 L 8.14 4.50 0.00 0.27 0.28 0.63 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.64 4.80 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 1.10 0.00 0.00 79 L 8.66 4.70 0.00 1.41 1.35 0.71 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.68 4.17 0.00 1.88 1.91 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 2.23 2.20 0.00 81 S 7.88 4.79 0.00 3.70 3.63 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 82 A 7.93 4.07 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 83 T 8.33 4.90 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 1.21 0.00 0.00 84 P 0.00 4.38 0.00 2.17 2.11 0.00 3.59 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 2.11 2.07 0.00 85 S 8.07 4.34 0.00 4.00 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 86 Q 8.18 4.63 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.15 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 87 T 7.61 4.46 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 1.35 0.00 0.00 88 S 8.19 4.47 0.00 3.90 3.53 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 89 V 7.66 4.86 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 0.58 0.00 0.00 0.92 0.00 0.00 90 Y 9.44 4.87 0.00 3.06 3.19 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 91 F 8.96 5.25 0.00 3.01 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 92 C 9.39 4.69 0.00 1.41 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 93 A 8.72 5.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 9.14 5.18 0.00 4.12 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 95 G 8.74 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 96 D 8.55 4.85 0.00 2.26 1.54 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 97 A 7.95 5.04 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 98 G 8.13 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 99 G 8.11 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 0.00 0.00 0.00 100 G 7.58 3.62 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 0.00 0.00 0.00 *104 Y 7.48 5.03 0.00 3.02 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 0.00 105 E 8.66 3.86 0.00 1.78 1.62 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 1.47 1.97 0.00 106 Q 7.93 4.38 0.00 1.41 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.52 0.00 0.00 0.00 0.00 0.00 1.80 1.99 0.00 107 Y 8.63 4.58 0.00 2.97 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 0.00 108 F 8.85 5.27 0.00 2.91 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 0.00 109 G 8.61 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 0.00 110 P 0.00 4.50 0.00 2.26 2.27 0.00 4.00 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 111 G 7.61 3.42 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 0.00 112 T 7.63 4.49 4.48 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 113 R 8.52 4.83 0.00 1.89 1.79 0.00 3.13 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 114 L 9.21 5.71 0.00 1.70 1.55 0.94 0.51 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 0.00 115 T 8.35 4.71 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 1.22 0.00 0.00 116 V 8.25 4.29 2.06 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 1.12 0.00 0.00 0.98 0.00 0.00 117 L 7.87 4.01 0.00 1.80 1.70 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.