NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5372 8.3649 120.3165 52.9902 40.7046 174.5501 2 I 3.8989 8.0565 121.0184 59.5142 37.5051 170.6394 3 V 4.0062 9.0894 127.6005 62.3713 33.8264 174.0887 4 L 5.1568 8.5733 127.0327 53.2855 44.6302 175.1429 5 T 4.7140 9.2452 120.8163 61.9718 70.8857 173.4041 6 Q 5.8340 9.0339 125.2631 54.0377 31.2252 175.1059 7 S 4.8624 8.3265 115.0169 56.4271 66.5213 172.0351 8 P 4.8030 0.0000 0.0000 62.1579 32.3293 176.1431 9 A 4.2439 8.6041 120.4106 54.6646 19.2760 177.5740 10 S 5.0277 7.8983 107.5837 56.5359 66.1198 173.3549 11 L 4.7736 9.2656 127.5719 53.3676 45.2122 174.4891 12 A 5.2695 8.7286 127.9810 50.4942 20.7988 176.1921 13 V 4.5252 8.5365 115.0833 59.3922 36.3806 175.6207 14 S 4.6110 8.5624 119.4581 57.9948 64.1914 173.9375 15 L 4.1665 8.3684 123.0284 56.4809 41.8467 177.9969 16 G 3.8872 8.9484 111.6273 45.2637 0.0000 173.3714 17 Q 4.4017 7.6601 119.0420 54.7124 31.3087 174.3446 18 R 4.7347 8.3236 120.0634 55.6749 31.3397 175.1375 19 A 4.6334 8.7342 128.2115 50.5641 21.2217 175.6323 20 T 4.8011 8.4118 119.0492 61.9235 71.3380 173.3658 21 M 4.7281 8.8406 126.4943 53.5538 35.1838 175.0251 22 S 5.4742 9.0369 119.5583 57.2058 65.9934 172.4793 23 C 5.4537 9.6642 123.1352 55.1095 42.8615 172.6343 24 R 5.3235 9.3653 125.5402 54.4205 32.5020 174.7172 25 A 4.9700 9.3328 126.5972 50.8013 20.2892 178.2841 26 G 3.8577 9.0716 109.5998 48.0018 0.0000 173.2107 27 E 4.8828 7.5707 113.9922 53.9502 32.9492 175.1375 27A S 4.4689 8.5208 113.9261 58.8090 63.1328 174.0291 27B V 4.3343 8.9173 119.2706 61.0128 31.9603 175.0305 27C D 5.2514 7.8237 119.1996 52.0248 41.1765 176.3590 27D I 3.7392 8.2907 122.5064 60.0552 37.6429 175.9565 28 F 3.9389 8.6425 127.2798 58.6727 36.1078 176.0964 29 G 3.9245 8.9768 103.3920 46.5127 0.0000 173.8916 30 V 4.3818 7.7017 119.7946 60.4070 33.3788 174.7625 31 G 4.3304 8.8597 117.0936 45.4702 0.0000 173.1268 32 F 4.9479 8.7774 126.8497 55.9929 37.5833 173.9790 33 L 4.6807 7.2374 120.8772 53.3148 45.4581 175.0182 34 H 5.3306 8.7290 123.0218 53.6931 32.9012 172.8013 35 W 5.5054 9.0377 120.0547 55.2843 32.5474 174.3203 36 Y 5.3219 9.5752 120.8212 56.3152 41.7020 174.1498 37 Q 4.7636 9.2029 123.6817 54.4213 32.0920 174.1093 38 Q 4.7998 8.9231 126.3000 54.4950 32.7465 173.8291 39 K 4.9259 8.5085 124.5335 53.5368 35.9253 173.8928 40 P 4.3491 0.0000 0.0000 64.4031 31.5716 177.3062 41 G 3.9716 9.0615 110.4285 45.4823 0.0000 172.8734 42 Q 4.6866 7.5881 117.6826 52.9105 31.8725 173.5887 43 P 4.5271 0.0000 0.0000 61.4526 32.3968 174.1956 44 P 4.6614 0.0000 0.0000 62.8100 32.1608 175.8539 45 K 4.6595 9.1653 123.9887 54.2213 34.8913 175.0131 46 L 3.9417 8.8664 130.0444 55.6931 42.3061 175.5143 47 L 4.4831 9.1351 125.9948 55.9827 43.9877 176.5680 48 I 5.1524 7.5435 118.4225 59.6115 41.4588 173.7712 49 Y 4.9611 8.4895 124.6212 55.0822 41.1133 175.4524 50 R 4.2093 9.8313 116.6121 56.3117 27.7337 176.3726 51 A 4.3594 9.1213 127.1812 52.8503 18.7118 180.2708 52 S 4.8139 7.5309 103.0153 57.2951 65.0478 172.8466 53 N 4.5734 7.8703 120.3340 51.8961 39.6121 174.5032 54 L 4.5125 8.3095 124.6360 54.3589 42.6612 176.7696 55 E 4.3516 9.0760 125.2326 55.7853 30.9712 176.1533 56 S 4.3243 8.7134 120.3929 60.2215 62.7897 174.5177 57 G 4.0227 8.9893 115.6201 45.2993 0.0000 173.5036 58 I 4.0053 7.2857 120.7249 59.7826 38.0488 174.3025 59 P 4.4873 0.0000 0.0000 62.7899 31.7428 177.8607 60 V 3.8986 8.3228 114.0505 63.4304 31.8121 177.6427 61 R 4.1017 8.0016 116.1578 57.5814 29.6931 175.7912 62 F 4.9251 7.9975 118.7295 56.7281 40.1096 175.2681 63 S 4.7251 9.0141 116.6054 57.1320 67.0435 172.9634 64 G 4.6636 8.7913 106.3785 43.6814 0.0000 171.5121 65 T 4.9441 9.4024 111.4791 60.3391 72.7180 172.5926 66 G 4.2728 8.9898 108.0536 45.0071 0.0000 173.8196 67 S 4.8459 7.8637 109.9898 57.9426 65.9172 173.8550 68 R 4.5650 7.3039 117.4884 56.6118 32.8234 176.9923 69 T 4.5848 7.4622 106.2440 61.4959 72.2147 172.5323 70 D 5.2806 7.5292 122.0855 52.3619 43.5000 175.4218 71 F 5.3848 9.4033 121.5156 56.0047 43.8514 173.9377 72 T 5.2443 9.2261 110.7053 60.0722 72.5186 172.1929 73 L 4.3453 8.1306 126.3397 53.3840 43.8721 174.9972 74 I 4.8149 8.4598 126.8664 59.4042 40.7080 174.4011 75 I 4.3982 8.3022 127.3565 59.3386 39.9947 174.4896 76 D 4.6313 8.5809 127.0519 52.8635 43.7979 172.7936 77 P 4.8285 0.0000 0.0000 61.4776 33.3256 175.8506 78 V 3.8294 8.6144 122.5522 63.1844 32.6899 174.8016 79 E 4.9935 9.4733 126.4996 54.2664 32.2905 177.1667 80 A 3.9808 8.6515 124.4998 55.2606 18.6915 178.8607 81 D 4.8966 8.0870 113.2595 54.0429 39.3362 176.4987 82 D 4.8734 8.0122 118.1042 54.6999 41.2494 176.7068 83 V 3.9947 7.7166 120.7602 63.0452 32.0123 175.1658 84 A 4.2726 7.8571 127.7332 52.5162 23.5913 174.3245 85 T 4.9085 7.9313 115.4850 62.2759 71.0395 173.9210 86 Y 5.2408 9.0163 123.3402 56.4450 41.1300 174.3302 87 Y 5.5485 9.4311 121.0211 56.4548 41.8122 172.5944 88 C 4.8668 9.0900 117.3234 54.2690 44.1416 172.0881 89 Q 4.9352 8.4437 120.4108 54.5298 32.6720 173.3743 90 Q 4.9475 8.5324 123.5289 54.1621 31.7572 175.4454 91 T 4.1374 8.0949 110.2518 61.5692 69.0477 174.8605 92 N 4.4356 8.7031 123.8366 56.9545 39.2108 174.7756 93 E 4.8166 7.9005 112.8853 54.4644 32.6093 174.4645 94 D 4.6201 8.4801 120.5034 53.4385 41.6478 174.6544 95 P 4.3834 0.0000 0.0000 62.2387 32.2550 175.9472 96 Y 4.5375 8.2773 118.9871 58.8808 38.5726 175.6369 97 T 4.8112 7.9852 111.5443 59.9608 72.7707 172.5666 98 F 5.3833 8.6945 119.9807 55.5288 42.4034 175.4055 99 G 4.0312 9.1156 110.1719 45.6611 0.0000 173.8979 100 G 3.9962 8.8433 107.2512 45.5932 0.0000 175.1554 101 G 3.7445 8.8038 105.0984 45.7330 0.0000 173.1474 102 T 4.8080 8.4133 116.2503 61.3531 72.0641 172.9376 103 K 4.7700 9.0213 128.6487 55.2693 33.5399 174.7439 104 L 5.1627 9.1253 130.3257 53.7278 44.0581 174.9826 105 E 4.8390 9.4144 124.9430 54.5562 34.0850 174.6066 106 I 4.6205 8.3127 124.4241 60.6758 38.4725 177.0275 *107 K 4.0955 8.6771 128.2522 54.8292 32.2905 172.2961 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 1 D 8.36 4.54 0.00 2.79 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.06 3.90 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 1.44 0.84 0.91 0.00 0.00 3 V 9.09 4.01 2.10 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 1.08 0.00 0.00 0.95 0.00 0.00 4 L 8.57 5.16 0.00 1.69 1.51 0.84 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 5 T 9.25 4.71 4.29 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 1.26 0.00 0.00 6 Q 9.03 5.83 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.73 0.00 0.00 0.00 0.00 0.00 2.61 2.27 0.00 7 S 8.33 4.86 0.00 3.88 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 8 P 0.00 4.80 0.00 2.39 2.12 0.00 3.79 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 2.00 1.96 0.00 9 A 8.60 4.24 1.33 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 10 S 7.90 5.03 0.00 3.84 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 11 L 9.27 4.77 0.00 1.71 1.44 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.73 5.27 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 13 V 8.54 4.53 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 0.71 0.00 0.00 0.89 0.00 0.00 14 S 8.56 4.61 0.00 3.76 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.37 4.17 0.00 1.62 1.59 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.95 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 7.66 4.40 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 18 R 8.32 4.73 0.00 1.92 1.74 0.00 3.14 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.64 0.00 19 A 8.73 4.63 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 20 T 8.41 4.80 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 1.15 0.00 0.00 21 M 8.84 4.73 0.00 1.83 1.65 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 22 S 9.04 5.47 0.00 4.00 3.86 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 23 C 9.66 5.45 0.00 2.98 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 24 R 9.37 5.32 0.00 1.80 1.85 0.00 3.21 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 25 A 9.33 4.97 1.39 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 0.00 0.00 0.00 26 G 9.07 3.86 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 0.00 0.00 0.00 27 E 7.57 4.88 0.00 2.09 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 2.20 2.22 0.00 27A S 8.52 4.47 0.00 3.85 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 27B V 8.92 4.33 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 1.03 0.00 0.00 27C D 7.82 5.25 0.00 2.89 2.92 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 0.00 0.00 0.00 0.00 27D I 8.29 3.74 1.56 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.33 0.55 0.00 0.00 28 F 8.64 3.94 0.00 3.26 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 29 G 8.98 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.70 4.38 2.48 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 1.22 0.00 0.00 1.09 0.00 0.00 31 G 8.86 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 32 F 8.78 4.95 0.00 2.97 2.88 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 0.00 0.00 0.00 33 L 7.24 4.68 0.00 0.87 0.68 0.09 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.73 5.33 0.00 3.05 3.02 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 W 9.04 5.51 0.00 3.20 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 36 Y 9.58 5.32 0.00 3.19 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 37 Q 9.20 4.76 0.00 2.12 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.06 1.66 0.00 38 Q 8.92 4.80 0.00 2.22 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.46 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 39 K 8.51 4.93 0.00 1.88 1.66 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.39 7.81 40 P 0.00 4.35 0.00 2.04 2.00 0.00 3.71 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 2.03 2.09 0.00 41 G 9.06 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 0.00 0.00 0.00 42 Q 7.59 4.69 0.00 2.19 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.90 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 43 P 0.00 4.53 0.00 2.16 2.04 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 44 P 0.00 4.66 0.00 1.86 1.99 0.00 3.53 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.90 0.00 45 K 9.17 4.66 0.00 1.78 1.74 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.73 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.35 7.81 46 L 8.87 3.94 0.00 1.72 1.57 0.52 0.96 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 47 L 9.14 4.48 0.00 1.70 1.49 1.17 0.05 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 48 I 7.54 5.15 2.13 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 1.10 1.03 0.00 0.00 49 Y 8.49 4.96 0.00 2.89 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 9.83 4.21 0.00 1.97 2.00 0.00 3.35 0.00 0.00 3.74 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.51 0.00 51 A 9.12 4.36 1.65 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 52 S 7.53 4.81 0.00 3.93 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 53 N 7.87 4.57 0.00 1.44 1.91 0.00 0.00 7.01 6.81 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 54 L 8.31 4.51 0.00 1.49 1.61 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 55 E 9.08 4.35 0.00 2.22 1.94 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 0.00 2.32 2.32 0.00 56 S 8.71 4.32 0.00 3.90 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 57 G 8.99 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 0.00 0.00 0.00 0.00 58 I 7.29 4.01 1.92 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 1.39 0.92 0.63 0.00 0.00 59 P 0.00 4.49 0.00 2.45 2.08 0.00 3.63 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 2.31 2.20 0.00 60 V 8.32 3.90 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 0.74 0.00 0.00 0.95 0.00 0.00 61 R 8.00 4.10 0.00 1.84 2.10 0.00 3.03 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.13 0.00 62 F 8.00 4.93 0.00 3.08 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 63 S 9.01 4.73 0.00 3.81 3.88 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 0.00 0.00 0.00 64 G 8.79 4.66 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 65 T 9.40 4.94 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 1.21 0.00 0.00 66 G 8.99 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 0.00 0.00 0.00 0.00 67 S 7.86 4.85 0.00 4.01 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 68 R 7.30 4.57 0.00 1.78 1.86 0.00 3.05 0.00 0.00 3.36 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 69 T 7.46 4.58 4.40 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 0.00 0.00 0.00 1.25 0.00 0.00 70 D 7.53 5.28 0.00 2.51 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.40 5.38 0.00 3.27 3.22 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 72 T 9.23 5.24 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 1.25 0.00 0.00 73 L 8.13 4.35 0.00 0.27 0.28 0.57 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 74 I 8.46 4.81 1.73 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 1.11 0.42 0.77 0.00 0.00 75 I 8.30 4.40 1.50 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.38 0.29 0.00 0.00 76 D 8.58 4.63 0.00 2.51 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 0.00 0.00 0.00 0.00 77 P 0.00 4.83 0.00 2.05 1.97 0.00 3.74 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.91 0.00 78 V 8.61 3.83 2.10 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 0.96 0.00 0.00 0.84 0.00 0.00 79 E 9.47 4.99 0.00 2.06 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 2.20 2.38 0.00 80 A 8.65 3.98 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 81 D 8.09 4.90 0.00 2.85 2.80 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 82 D 8.01 4.87 0.00 2.85 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 83 V 7.72 3.99 2.21 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 0.74 0.00 0.00 0.99 0.00 0.00 84 A 7.86 4.27 1.03 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 85 T 7.93 4.91 4.15 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 0.78 0.00 0.00 86 Y 9.02 5.24 0.00 2.97 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 87 Y 9.43 5.55 0.00 3.11 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 88 C 9.09 4.87 0.00 2.13 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 89 Q 8.44 4.94 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.77 0.00 0.00 0.00 0.00 0.00 1.77 1.16 0.00 90 Q 8.53 4.95 0.00 2.16 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.65 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 91 T 8.09 4.14 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 92 N 8.70 4.44 0.00 2.79 3.00 0.00 0.00 6.81 6.93 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 93 E 7.90 4.82 0.00 2.06 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 2.17 2.35 0.00 94 D 8.48 4.62 0.00 2.64 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 95 P 0.00 4.38 0.00 2.17 2.01 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 96 Y 8.28 4.54 0.00 2.82 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 97 T 7.99 4.81 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 1.30 0.00 0.00 98 F 8.69 5.38 0.00 2.85 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 99 G 9.12 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 0.00 100 G 8.84 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 0.00 101 G 8.80 3.74 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 0.00 0.00 0.00 102 T 8.41 4.81 4.36 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 1.32 0.00 0.00 103 K 9.02 4.77 0.00 1.87 1.69 0.00 1.51 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.44 7.81 104 L 9.13 5.16 0.00 1.94 1.89 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 105 E 9.41 4.84 0.00 1.92 1.79 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 2.22 2.31 0.00 106 I 8.31 4.62 1.88 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 1.22 0.79 0.91 0.00 0.00 *107 K 8.68 4.10 0.00 1.49 1.52 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.