NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 T 4.4250 8.1744 110.9499 61.3253 69.6985 175.2720 -4 E 5.4599 9.1552 114.8085 55.6022 30.0505 172.3305 -3 F 4.8860 8.0266 117.7731 55.8991 43.6573 172.9854 -2 K 4.2453 7.0079 124.5282 54.2057 35.5827 175.8234 -1 A 3.8895 7.9759 123.5675 52.2566 19.3245 177.6877 -4 G 5.0699 9.0652 103.4085 44.1022 0.0000 170.6305 -3 S 4.7360 8.0366 113.1731 56.4991 67.8573 171.7854 -2 A 4.2453 6.9579 127.9282 50.5057 21.5827 177.0234 -1 K 3.8895 8.0259 120.1675 55.9566 33.3245 176.4877 5 K 4.1709 8.1052 119.5267 59.5018 32.2357 178.7579 6 G 3.7280 8.2075 105.2637 47.9578 0.0000 175.2627 7 A 2.5800 7.9087 122.8410 54.1784 18.4442 179.0867 8 T 4.0520 7.5382 106.9255 63.5189 69.3934 177.1039 9 L 3.9837 7.5940 122.6170 57.5606 41.4039 178.8156 10 F 3.8286 8.0552 120.6231 61.0650 39.6117 176.9384 11 K 4.2419 7.8405 118.2865 60.0904 31.8039 179.4689 12 T 3.7646 7.6723 107.7890 64.0040 68.6657 175.6424 13 R 4.3555 8.0593 119.0688 56.0196 32.4150 176.7311 14 C 4.0367 8.1716 116.3790 60.7365 29.5260 175.6218 15 L 3.9237 6.1490 119.7752 58.5723 41.3480 178.8129 16 Q 4.0482 7.9474 117.4398 58.9102 28.9848 176.4532 17 C 4.8795 8.4888 114.0780 59.3103 31.0263 173.2358 18 H 5.3884 8.2347 115.0823 54.5408 33.0538 172.7683 19 T 4.9013 8.6809 109.6196 60.3767 71.4021 174.8456 20 V 4.3283 8.4838 115.2457 61.1596 33.6807 176.1695 21 E 4.1046 7.8836 118.9528 55.3914 30.2444 175.9856 22 K 3.9795 8.3287 123.4707 58.3229 32.2858 176.6946 23 G 3.9577 9.1000 114.8361 45.1285 0.0000 173.1006 24 G 3.8891 7.9061 108.8291 43.9470 0.0000 172.3562 25 P 4.5082 0.0000 0.0000 61.8067 32.5260 175.8892 26 H 4.7880 8.2690 116.9245 56.2328 30.2805 175.8002 27 K 4.4466 8.9816 124.9688 55.3433 33.7981 178.6711 28 V 3.6933 8.9505 124.3501 66.5524 31.5549 176.1210 29 G 3.9346 7.9234 106.3955 43.3852 0.0000 171.3149 30 P 4.4195 0.0000 0.0000 61.9550 32.1004 175.8511 31 N 4.7242 9.0030 119.3792 53.3477 39.7988 174.5923 32 L 4.4702 8.9048 122.5924 54.3067 42.4675 176.1326 33 H 4.0350 8.6074 119.9459 57.7800 29.9795 174.8978 34 G 3.9022 9.0242 115.0068 46.6648 0.0000 174.9754 35 I 3.6513 7.3298 122.5223 63.1932 38.1830 176.2401 36 F 4.7773 7.6537 118.6924 58.5109 39.3045 175.6981 37 G 4.0467 9.6527 114.5894 45.2472 0.0000 173.3930 38 R 4.5822 7.4364 120.0869 55.3236 32.1767 175.1003 39 H 5.0955 8.6373 121.2139 54.7016 30.1126 175.3496 40 S 4.2437 8.5471 117.3093 60.0151 63.1372 174.7240 41 G 2.0000 8.1123 110.7133 45.4586 0.0000 173.9979 42 Q 4.4402 7.7930 116.9342 55.3015 30.2313 176.1122 43 A 4.1915 8.5917 122.9931 52.2751 18.9229 176.2374 44 E 4.5435 8.8078 120.6961 56.6764 30.9825 176.7509 45 G 4.0232 9.2617 110.3176 45.2687 0.0000 172.0626 46 Y 4.3192 7.1935 120.1290 55.5473 40.2732 175.5783 47 S 4.3522 7.0474 121.7156 57.2249 61.3544 172.8745 48 Y 4.8613 8.2794 124.7989 56.3082 39.7743 175.6666 49 T 4.3704 8.3409 111.5590 61.2275 70.1039 175.4055 50 D 4.4122 8.6684 121.0199 57.0438 40.1536 178.7243 51 A 3.9690 8.0557 121.1409 55.3362 18.2221 179.0024 52 N 4.3371 7.9010 113.4142 56.8178 39.4983 176.7500 53 I 3.6675 7.2782 120.4037 64.5577 37.0659 178.6537 54 K 3.9616 7.7473 117.6207 59.2372 31.8717 179.0570 55 K 3.8946 7.6093 118.6601 57.1695 32.3535 175.9792 56 N 4.0054 7.8731 115.5693 53.7877 38.1754 174.1152 57 V 3.3602 7.4881 115.6683 62.7511 32.9164 174.3859 58 L 4.3312 7.8351 129.0567 52.9262 43.3724 175.7831 59 W 4.7576 8.7081 128.5074 56.4916 29.8026 175.3642 60 D 5.5301 8.7981 124.1933 50.6466 42.2766 176.4469 61 E 3.5577 8.9748 118.3641 60.0288 29.1398 179.1726 62 N 4.4860 8.0801 116.4687 55.8891 38.8011 176.6532 63 N 4.3300 9.4709 119.4813 57.1072 39.0216 176.4418 64 M 4.2811 8.6379 119.8165 58.7201 32.0436 178.2187 65 S 4.1610 7.5918 112.6200 61.3790 62.9653 175.6817 66 E 4.1246 8.1160 120.7892 59.4808 29.3871 178.3286 67 Y 3.9452 7.7874 119.4498 60.8803 38.9419 178.3272 68 L 3.9924 8.1393 119.2868 57.6233 41.6064 179.7770 69 T 4.2857 7.8317 117.6830 65.0442 69.1443 173.3646 70 N 4.6604 7.8977 116.6336 52.2118 40.7750 173.0376 71 P 3.7949 0.0000 0.0000 62.7732 31.6623 178.3885 *73 K 4.1973 8.1577 120.0052 56.7307 33.6364 176.2798 74 Y 4.2391 8.1601 118.1477 60.3097 39.2304 176.4342 75 I 4.6589 8.6968 120.6372 58.3635 38.0038 171.6865 76 P 4.5200 0.0000 0.0000 63.9809 31.9825 177.9183 77 G 4.0152 8.9662 110.2462 45.2462 0.0000 173.5706 78 T 4.1386 7.5657 114.5155 62.0825 67.8180 173.8839 79 K 4.4157 8.5775 125.3672 56.7499 33.1319 175.8868 80 M 4.1590 7.8872 120.5738 55.7444 32.7242 177.0168 81 A 4.5066 8.4447 133.9043 51.6894 18.1898 175.9900 82 Y 4.8003 7.3810 121.9065 54.9894 42.0124 175.4257 83 G 3.3495 8.1413 116.2424 49.0810 0.0000 172.8064 84 G 4.2415 5.7937 102.1438 43.7061 0.0000 173.5639 85 A 4.6401 8.8079 125.3230 49.6643 18.3270 177.6337 86 K 3.9581 8.3957 120.8348 59.1887 32.8045 178.4658 87 K 4.2868 7.8865 119.3339 55.1047 32.7888 176.7030 88 E 3.9781 8.9546 126.0612 59.4941 29.5347 178.9520 89 K 3.9558 8.0361 117.9895 59.9642 32.5483 178.5680 90 D 4.3390 7.9830 119.5031 57.2833 40.8341 178.6951 91 R 4.0009 8.1194 118.2729 59.4336 30.0925 178.5524 92 N 4.6300 8.4659 116.4096 56.7870 38.5987 176.7243 93 D 4.4630 8.0194 119.6833 57.5570 41.0194 178.7967 94 L 4.0911 8.1684 120.4715 58.6483 42.0592 179.2789 95 I 4.0666 8.7267 119.7740 64.3035 36.9836 178.6481 96 T 4.0279 8.7431 117.3833 66.7309 68.3109 175.6853 97 Y 3.9604 8.5684 121.5949 60.7447 38.8269 178.1172 98 L 3.7343 8.6870 119.8179 58.1441 41.6336 179.6174 99 K 3.4944 8.3805 119.1341 59.3919 32.3090 178.0348 100 K 3.9955 7.6207 117.0712 58.8386 32.1976 178.5786 101 A 4.3060 7.3738 118.1789 52.3878 19.4858 177.5867 102 T 4.2160 7.6952 107.2866 61.6258 69.5283 175.0975 103 E 4.1311 7.7716 127.0227 56.8393 29.6467 176.0403 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 -5 T 8.17 4.42 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 1.37 0.00 0.00 -4 E 9.16 5.46 0.00 2.04 1.97 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 2.25 2.36 0.00 -3 F 8.03 4.89 0.00 3.09 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 -2 K 7.01 4.25 0.00 1.59 1.52 0.00 1.53 0.00 0.00 1.62 0.00 0.00 2.71 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.00 1.20 7.81 -1 A 7.98 3.89 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 -4 G 9.07 5.07 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 -3 S 8.04 4.74 0.00 3.84 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 -2 A 6.96 4.25 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 -1 K 8.03 3.89 0.00 1.64 1.57 0.00 0.61 0.00 0.00 1.82 0.00 0.00 2.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.35 7.81 5 K 8.11 4.17 0.00 1.88 1.99 0.00 1.62 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.75 1.58 7.81 6 G 8.21 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 7 A 7.91 2.58 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 8 T 7.54 4.05 4.21 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 1.18 0.00 0.00 9 L 7.59 3.98 0.00 2.06 1.76 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.06 3.83 0.00 2.86 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 11 K 7.84 4.24 0.00 1.80 1.88 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.68 7.81 12 T 7.67 3.76 4.21 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 1.22 0.00 0.00 13 R 8.06 4.36 0.00 1.69 1.55 0.00 3.10 0.00 0.00 3.38 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 14 C 8.17 4.04 0.00 1.23 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 0.00 0.00 0.00 15 L 6.15 3.92 0.00 1.77 1.76 1.22 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 7.95 4.05 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 17 C 8.49 4.88 0.00 2.67 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 18 H 8.23 5.39 0.00 3.01 3.29 0.00 5.59 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.68 4.90 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 1.29 0.00 0.00 20 V 8.48 4.33 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 0.44 0.00 0.00 0.68 0.00 0.00 21 E 7.88 4.10 0.00 2.10 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 2.40 2.24 0.00 22 K 8.33 3.98 0.00 1.20 1.27 0.00 1.57 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.27 1.37 7.81 23 G 9.10 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 0.00 0.00 0.00 24 G 7.91 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 25 P 0.00 4.51 0.00 2.20 2.05 0.00 3.78 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 1.99 0.00 26 H 8.27 4.79 0.00 3.31 3.48 0.00 5.66 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.98 4.45 0.00 1.75 1.32 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.39 7.81 28 V 8.95 3.69 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 0.78 0.00 0.00 0.93 0.00 0.00 29 G 7.92 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 30 P 0.00 4.42 0.00 1.65 0.57 0.00 3.50 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.17 0.00 31 N 9.00 4.72 0.00 2.96 2.78 0.00 0.00 7.23 7.78 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 32 L 8.90 4.47 0.00 1.61 1.45 0.80 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.61 4.03 0.00 3.18 3.23 0.00 6.06 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 34 G 9.02 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 0.00 0.00 0.00 35 I 7.33 3.65 1.76 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.64 -0.00 0.00 0.00 36 F 7.65 4.78 0.00 3.11 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 37 G 9.65 4.05 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 0.00 38 R 7.44 4.58 0.00 1.89 2.00 0.00 3.15 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 39 H 8.64 5.10 0.00 3.00 3.10 0.00 5.97 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.55 4.24 0.00 4.25 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 41 G 8.11 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 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 7.79 4.44 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 43 A 8.59 4.19 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.81 4.54 0.00 2.16 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 2.29 2.36 0.00 45 G 9.26 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 46 Y 7.19 4.32 0.00 2.41 2.35 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 0.00 0.00 0.00 0.00 47 S 7.05 4.35 0.00 3.60 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 48 Y 8.28 4.86 0.00 3.00 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 49 T 8.34 4.37 4.32 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 1.34 0.00 0.00 50 D 8.67 4.41 0.00 2.74 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 51 A 8.06 3.97 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 52 N 7.90 4.34 0.00 2.97 3.01 0.00 0.00 7.36 7.24 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 53 I 7.28 3.67 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.04 0.85 0.00 0.00 54 K 7.75 3.96 0.00 1.73 1.85 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.73 1.54 7.81 55 K 7.61 3.89 0.00 1.96 1.78 0.00 1.74 0.00 0.00 1.43 0.00 0.00 2.58 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.50 7.81 56 N 7.87 4.01 0.00 2.77 2.71 0.00 0.00 7.15 7.00 0.00 0.00 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 V 7.49 3.36 0.95 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 -0.65 0.00 0.00 0.70 0.00 0.00 58 L 7.84 4.33 0.00 1.44 1.36 0.86 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 59 W 8.71 4.76 0.00 3.46 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 60 D 8.80 5.53 0.00 2.77 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 61 E 8.97 3.56 0.00 1.16 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 2.07 2.09 0.00 62 N 8.08 4.49 0.00 3.01 2.95 0.00 0.00 6.75 6.92 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 63 N 9.47 4.33 0.00 3.21 3.04 0.00 0.00 6.91 7.53 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 64 M 8.64 4.28 0.00 2.52 2.40 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.80 0.00 65 S 7.59 4.16 0.00 4.02 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 66 E 8.12 4.12 0.00 2.08 1.99 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 2.49 2.43 0.00 67 Y 7.79 3.95 0.00 2.69 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 68 L 8.14 3.99 0.00 1.82 1.77 0.97 0.54 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 69 T 7.83 4.29 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 1.23 0.00 0.00 70 N 7.90 4.66 0.00 2.69 2.68 0.00 0.00 7.22 7.62 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 71 P 0.00 3.79 0.00 2.14 1.22 0.00 3.55 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.61 0.00 *73 K 8.16 4.20 0.00 1.77 1.96 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.57 7.81 74 Y 8.16 4.24 0.00 3.22 3.48 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 0.00 75 I 8.70 4.66 2.21 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 1.45 1.44 1.05 0.00 0.00 76 P 0.00 4.52 0.00 2.20 2.09 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 77 G 8.97 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 78 T 7.57 4.14 4.56 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 1.42 0.00 0.00 79 K 8.58 4.42 0.00 1.96 1.96 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.49 7.81 80 M 7.89 4.16 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.59 0.00 81 A 8.44 4.51 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 82 Y 7.38 4.80 0.00 2.82 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 83 G 8.14 3.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 5.79 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 0.00 0.00 0.00 0.00 85 A 8.81 4.64 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.40 3.96 0.00 1.75 1.89 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.39 7.81 87 K 7.89 4.29 0.00 1.99 1.77 0.00 1.59 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.55 7.81 88 E 8.95 3.98 0.00 2.04 1.98 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 2.39 2.43 0.00 89 K 8.04 3.96 0.00 2.01 2.05 0.00 1.57 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.54 7.81 90 D 7.98 4.34 0.00 3.00 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 91 R 8.12 4.00 0.00 2.13 2.12 0.00 3.28 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.98 0.00 92 N 8.47 4.63 0.00 2.86 2.83 0.00 0.00 7.07 8.71 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 93 D 8.02 4.46 0.00 3.04 2.87 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 94 L 8.17 4.09 0.00 1.99 1.87 0.95 1.55 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 95 I 8.73 4.07 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.94 0.56 0.00 0.00 96 T 8.74 4.03 4.52 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 1.32 0.00 0.00 97 Y 8.57 3.96 0.00 3.09 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 98 L 8.69 3.73 0.00 2.02 2.02 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.38 3.49 0.00 1.35 1.94 0.00 1.70 0.00 0.00 1.60 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.25 1.21 7.81 100 K 7.62 4.00 0.00 1.84 1.71 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.54 7.81 101 A 7.37 4.31 0.84 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 0.00 0.00 102 T 7.70 4.22 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 1.14 0.00 0.00 103 E 7.77 4.13 0.00 2.13 1.87 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 2.36 2.19 0.00 * Residues marked with a * may have inaccurate shift predictions.