NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.5745 8.5398 119.5307 56.5847 34.0588 176.3776 4 K 4.1941 8.0583 118.7672 56.7581 34.0140 174.5639 5 E 4.1995 9.0360 115.0550 57.1805 29.8971 177.7599 6 D 4.7729 7.9017 119.0946 54.3115 42.9283 175.5302 7 K 4.5853 7.9314 121.0321 54.4989 33.1601 175.4530 8 Y 4.0099 8.6545 127.5713 57.7770 39.0460 175.0307 9 D 4.4331 7.9657 127.2527 53.3486 40.5684 176.0824 10 F 4.4293 8.6475 128.6129 59.7241 39.6026 176.6611 11 R 3.9900 8.2387 117.6337 59.6328 29.7338 178.7020 12 A 3.8210 7.5947 120.1477 54.9643 18.5618 179.1101 13 L 2.5969 7.2053 118.4216 57.6881 41.9870 178.9922 14 G 3.5287 7.1124 105.8308 47.8824 0.0000 175.3525 15 L 3.8764 7.6994 122.6270 57.4571 41.9913 178.6375 16 A 3.9403 7.7420 120.8740 55.2718 18.1964 179.5986 17 I 3.5516 7.5972 118.1268 64.4107 37.2108 178.6225 18 K 4.4052 7.7999 121.6506 59.1772 31.9868 178.7732 19 E 3.9723 8.6904 119.0871 59.1161 29.2371 179.2488 20 A 3.9262 8.2995 121.2661 55.1047 18.5139 179.3584 21 R 3.7970 8.2559 117.7007 59.8939 30.1733 178.8617 22 K 4.0363 8.1803 117.9576 59.1779 31.8332 179.3623 23 K 4.0422 8.1665 119.3714 58.9394 32.1825 177.9308 24 Q 4.4091 8.0850 116.2326 55.0470 28.8769 176.1512 25 G 3.8938 7.5467 107.4276 46.1936 0.0000 173.5716 26 L 4.6427 7.7153 119.3428 53.4849 42.9595 177.6249 27 T 4.3497 8.5280 113.8153 60.9319 71.3074 176.3096 28 R 3.9334 8.3874 120.1849 59.4884 30.0327 179.1523 29 E 3.9735 8.1415 117.9270 59.3571 29.2405 179.3470 30 Q 3.9320 7.8600 117.2639 58.9727 28.9348 178.3545 31 V 3.8172 7.5560 117.9921 66.1219 31.7842 177.9733 32 G 3.8759 8.6106 106.5866 46.9628 0.0000 175.5676 33 A 4.4246 7.6805 120.7117 52.2029 18.5000 178.1231 *35 I 3.9414 7.5577 111.9796 61.4218 39.2998 174.8279 36 E 3.7915 8.4163 118.7195 58.2056 26.4624 174.1814 37 I 4.6722 7.3029 110.1169 58.1944 40.9673 174.1912 38 D 4.5974 8.6476 121.3669 54.0491 42.2280 175.5882 39 P 4.3511 0.0000 0.0000 65.6725 31.4289 178.8034 40 R 4.0508 9.4940 118.3953 59.0768 29.9799 178.2342 41 Y 4.2807 8.0206 119.1092 60.4457 38.8790 177.2878 42 L 3.7859 7.9889 121.3720 58.5649 42.0953 178.9063 43 T 3.8819 7.8640 115.4389 67.0292 68.4446 176.2481 44 N 4.3774 8.0884 117.5543 56.2960 38.3327 177.5346 45 I 3.9993 7.5015 121.5980 63.9824 37.4744 177.9471 46 E 4.3785 8.4848 119.0835 58.2943 29.2664 178.0120 47 N 4.9160 8.3478 114.3773 53.0403 39.9610 175.6150 48 K 4.5113 7.8676 117.7151 55.2035 33.7721 176.9006 49 G 4.5243 8.5179 105.3917 46.3371 0.0000 173.7689 50 Q 4.0308 7.5396 121.5204 55.7057 29.3686 175.1660 51 H 3.9082 8.6562 123.5318 54.6581 29.2182 173.6931 52 P 4.4995 0.0000 0.0000 61.7871 32.2833 176.6307 53 S 4.3384 8.3341 114.7919 58.3996 64.5977 175.2519 54 L 3.9961 8.4585 123.4169 58.3313 41.7314 178.6021 55 Q 4.0731 8.1942 118.9762 59.5862 28.8745 178.7368 56 V 3.6500 7.8032 118.5932 65.5344 31.5789 177.3210 57 L 3.9223 8.3622 120.7535 58.5800 41.8211 178.3026 58 Y 4.1428 8.3909 119.3020 61.0416 38.7734 177.9924 59 D 3.8826 8.4069 119.9585 57.0212 40.8110 178.8204 60 L 3.8863 8.0711 119.7064 58.0448 41.6479 179.9725 61 V 3.7019 7.7700 112.0892 63.7067 31.3448 178.8599 62 S 4.0229 7.7197 113.8330 60.9938 62.9640 175.9069 63 L 3.9970 7.6301 123.1481 57.5143 41.9888 178.1994 64 L 4.3198 7.8481 115.6137 53.3430 42.9670 175.5501 65 N 4.0938 8.1617 116.6192 54.4745 37.5030 173.9318 66 V 4.1584 7.4261 116.2652 61.0034 33.3694 174.6719 67 S 4.2906 8.5559 122.0201 57.8185 62.3744 174.3440 68 V 3.6216 8.3622 128.4615 65.9942 31.3348 177.2913 69 D 4.3589 8.1072 118.2794 57.4652 40.3755 178.2711 70 E 3.7934 7.7507 118.2849 58.3794 29.6095 177.8665 71 F 4.7060 8.2595 115.3901 57.4219 40.3436 176.2425 72 F 4.9031 8.3646 115.6357 57.5945 40.1846 175.7472 73 L 4.8805 7.7319 119.5982 51.5409 44.0798 174.4972 74 P 4.2689 0.0000 0.0000 62.5892 31.6983 176.0013 75 A 4.0868 8.5052 126.3565 51.9212 18.8343 174.9490 76 S 4.1366 8.1081 117.2461 55.6513 64.1500 174.5617 77 S 3.5942 7.9296 115.0090 59.3382 61.5414 171.3866 78 Q 4.2098 6.9675 120.4669 58.6109 30.3391 177.9355 79 V 3.9063 7.1888 123.8582 61.1040 30.0625 177.4471 80 K 4.2644 7.8351 131.6916 54.5310 31.7235 177.7926 81 S 4.0530 8.1024 111.9392 59.3899 63.6774 173.4982 82 T 3.6843 8.6216 125.2718 66.5403 68.2719 176.5002 83 K 4.1099 7.8873 122.2913 59.0696 32.3994 178.6247 84 R 3.8679 7.8717 118.4127 59.3630 29.9936 178.1163 85 R 3.8935 8.7196 118.5946 59.6602 30.1551 178.8424 86 Q 3.9546 7.9900 117.3431 58.8555 28.8547 178.7724 87 L 3.9705 7.8792 121.1168 58.4328 42.2647 179.0364 88 E 3.9157 8.1875 118.3379 59.2661 29.0982 178.8937 89 N 4.6734 7.8330 117.8751 56.0661 39.0754 176.8944 90 K 4.0927 7.7730 119.2306 58.1671 32.5116 178.2911 91 I 2.7738 6.9800 111.1231 59.9846 37.4283 176.9124 92 D 4.3160 7.3567 121.2408 57.9191 40.7364 178.1231 93 N 4.8477 7.9556 113.2386 53.2624 38.9299 174.8344 94 F 4.7571 7.8971 117.2870 57.0293 40.1124 176.7594 95 T 4.3595 8.3625 115.3713 61.1870 71.0211 175.7949 96 D 4.3961 8.5640 120.3701 57.0868 40.5319 178.7104 97 A 3.9784 7.9732 120.3649 55.3596 18.5570 178.7840 98 D 4.3549 7.7605 117.0016 57.6948 40.6765 179.2738 99 L 4.1475 7.8671 117.8108 57.5383 41.8064 179.4590 100 V 3.8200 8.0822 118.9922 65.8557 31.4147 178.7607 101 I 3.5662 7.3213 116.4905 62.0640 36.7251 177.4002 *103 E 4.2858 8.1783 123.4083 56.2382 31.3443 178.0119 104 S 4.1599 8.0207 114.0079 61.1008 62.8689 176.5799 105 V 3.5293 7.9776 121.7178 65.8599 31.3038 177.6412 106 A 3.9892 8.0337 119.8203 55.6062 18.2278 179.2563 107 D 4.4537 8.4047 117.3683 57.3044 40.7456 179.2868 108 G 3.6249 8.3704 106.5959 47.7860 0.0000 175.9262 109 I 3.7421 7.9817 122.4363 64.1998 37.0286 179.0261 110 V 3.6131 7.8540 113.3293 64.1341 31.3657 178.4594 111 K 3.9558 8.0081 118.3306 59.9740 31.8909 178.8928 112 S 4.0988 8.2328 115.0291 61.7931 62.5717 176.7318 113 K 3.8891 8.1427 121.2820 60.3784 32.0091 178.1816 114 E 3.9882 8.9693 119.7915 59.7050 29.1282 179.3178 115 V 3.9170 8.6607 115.2380 63.2679 32.0351 178.7745 116 G 3.7105 8.2857 106.4829 47.1534 0.0000 173.3746 117 E 4.2413 7.7076 122.4992 56.0306 29.9270 175.7245 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 K 8.54 4.57 0.00 1.77 1.91 0.00 1.76 0.00 0.00 1.48 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.35 7.81 4 K 8.06 4.19 0.00 1.96 2.03 0.00 1.53 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.44 7.81 5 E 9.04 4.20 0.00 2.10 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 0.00 2.29 2.29 0.00 6 D 7.90 4.77 0.00 2.60 2.73 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 7 K 7.93 4.59 0.00 1.72 1.85 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.39 7.81 8 Y 8.65 4.01 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 9 D 7.97 4.43 0.00 2.55 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 10 F 8.65 4.43 0.00 3.34 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 11 R 8.24 3.99 0.00 1.98 1.92 0.00 3.17 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 12 A 7.59 3.82 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 13 L 7.21 2.60 0.00 1.22 0.93 0.58 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.11 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 0.00 0.00 0.00 15 L 7.70 3.88 0.00 1.69 1.79 0.94 0.91 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 16 A 7.74 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.60 3.55 1.96 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 1.34 0.61 0.88 0.00 0.00 18 K 7.80 4.41 0.00 1.80 1.91 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.44 7.81 19 E 8.69 3.97 0.00 2.08 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 2.57 2.46 0.00 20 A 8.30 3.93 1.35 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 21 R 8.26 3.80 0.00 1.83 2.11 0.00 3.08 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.67 0.00 22 K 8.18 4.04 0.00 1.84 1.83 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.51 7.81 23 K 8.17 4.04 0.00 1.80 1.93 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 24 Q 8.09 4.41 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.23 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 25 G 7.55 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 26 L 7.72 4.64 0.00 1.80 1.59 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.53 4.35 4.41 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 1.21 0.00 0.00 28 R 8.39 3.93 0.00 1.88 2.02 0.00 3.13 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 29 E 8.14 3.97 0.00 2.05 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 2.47 0.00 30 Q 7.86 3.93 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 31 V 7.56 3.82 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 0.78 0.00 0.00 0.91 0.00 0.00 32 G 8.61 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 0.00 0.00 0.00 33 A 7.68 4.42 1.37 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 *35 I 7.56 3.94 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.64 0.86 0.00 0.00 36 E 8.42 3.79 0.00 2.19 2.15 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 2.24 2.40 0.00 37 I 7.30 4.67 2.07 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.00 1.01 0.00 0.00 38 D 8.65 4.60 0.00 2.77 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 39 P 0.00 4.35 0.00 2.21 2.11 0.00 3.67 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 40 R 9.49 4.05 0.00 1.95 2.01 0.00 3.14 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 41 Y 8.02 4.28 0.00 2.92 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 42 L 7.99 3.79 0.00 1.78 1.86 0.85 0.84 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 43 T 7.86 3.88 4.44 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 0.00 0.00 0.00 1.23 0.00 0.00 44 N 8.09 4.38 0.00 3.03 2.93 0.00 0.00 7.09 7.13 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 45 I 7.50 4.00 1.86 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.91 0.95 0.00 0.00 46 E 8.48 4.38 0.00 2.01 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 2.29 2.45 0.00 47 N 8.35 4.92 0.00 2.79 2.85 0.00 0.00 6.80 7.51 0.00 0.00 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 7.87 4.51 0.00 1.92 1.77 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 1.51 7.81 49 G 8.52 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 0.00 0.00 0.00 0.00 50 Q 7.54 4.03 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.95 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 51 H 8.66 3.91 0.00 3.10 3.12 0.00 5.77 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.50 0.00 2.15 1.76 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 0.00 53 S 8.33 4.34 0.00 4.11 4.13 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 54 L 8.46 4.00 0.00 1.78 1.75 0.96 0.60 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 Q 8.19 4.07 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.70 0.00 0.00 0.00 0.00 0.00 2.50 2.70 0.00 56 V 7.80 3.65 2.15 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 0.89 0.00 0.00 1.10 0.00 0.00 57 L 8.36 3.92 0.00 1.84 1.92 1.06 0.92 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 58 Y 8.39 4.14 0.00 3.14 3.29 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 59 D 8.41 3.88 0.00 2.66 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.07 3.89 0.00 1.77 1.67 0.85 1.06 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 61 V 7.77 3.70 2.29 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 0.83 0.00 0.00 0.97 0.00 0.00 62 S 7.72 4.02 0.00 3.84 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 63 L 7.63 4.00 0.00 1.68 1.86 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.85 4.32 0.00 1.69 1.65 0.88 0.92 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 65 N 8.16 4.09 0.00 2.80 2.84 0.00 0.00 6.99 8.40 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 66 V 7.43 4.16 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 0.82 0.00 0.00 0.90 0.00 0.00 67 S 8.56 4.29 0.00 3.88 3.81 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 68 V 8.36 3.62 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.73 0.00 0.00 69 D 8.11 4.36 0.00 2.70 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 70 E 7.75 3.79 0.00 1.83 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 1.49 2.05 0.00 71 F 8.26 4.71 0.00 3.22 3.36 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 72 F 8.36 4.90 0.00 2.88 2.98 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 73 L 7.73 4.88 0.00 1.77 1.57 0.95 0.87 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 74 P 0.00 4.27 0.00 2.18 2.08 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 75 A 8.51 4.09 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 76 S 8.11 4.14 0.00 3.82 3.66 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 77 S 7.93 3.59 0.00 4.07 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 78 Q 6.97 4.21 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.50 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 79 V 7.19 3.91 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 0.77 0.00 0.00 0.92 0.00 0.00 80 K 7.84 4.26 0.00 1.72 1.76 0.00 1.73 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.41 1.47 7.81 81 S 8.10 4.05 0.00 3.91 3.75 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 82 T 8.62 3.68 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 1.20 0.00 0.00 83 K 7.89 4.11 0.00 1.85 1.79 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.40 7.81 84 R 7.87 3.87 0.00 1.90 2.03 0.00 3.24 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 85 R 8.72 3.89 0.00 2.10 1.96 0.00 3.17 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 86 Q 7.99 3.95 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 87 L 7.88 3.97 0.00 1.73 1.81 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.19 3.92 0.00 2.02 1.93 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 2.28 2.41 0.00 89 N 7.83 4.67 0.00 2.69 2.94 0.00 0.00 7.19 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 90 K 7.77 4.09 0.00 1.84 1.70 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.40 7.81 91 I 6.98 2.77 1.32 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.57 0.32 0.00 0.00 92 D 7.36 4.32 0.00 2.89 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 93 N 7.96 4.85 0.00 2.82 2.91 0.00 0.00 6.90 7.45 0.00 0.00 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 F 7.90 4.76 0.00 3.08 2.95 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 95 T 8.36 4.36 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 1.20 0.00 0.00 96 D 8.56 4.40 0.00 2.72 2.77 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 0.00 0.00 0.00 97 A 7.97 3.98 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 98 D 7.76 4.35 0.00 2.70 2.19 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 99 L 7.87 4.15 0.00 1.83 1.80 1.03 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.08 3.82 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 1.04 0.00 0.00 0.96 0.00 0.00 101 I 7.32 3.57 2.02 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.62 0.92 0.00 0.00 *103 E 8.18 4.29 0.00 2.12 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 2.41 2.32 0.00 104 S 8.02 4.16 0.00 4.11 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 0.00 105 V 7.98 3.53 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 1.10 0.00 0.00 1.03 0.00 0.00 106 A 8.03 3.99 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 0.00 107 D 8.40 4.45 0.00 2.71 2.73 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 0.00 108 G 8.37 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 0.00 109 I 7.98 3.74 2.04 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 1.53 0.77 0.91 0.00 0.00 110 V 7.85 3.61 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 0.92 0.00 0.00 0.96 0.00 0.00 111 K 8.01 3.96 0.00 2.03 1.88 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.65 7.81 112 S 8.23 4.10 0.00 4.05 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 0.00 113 K 8.14 3.89 0.00 1.96 1.84 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.49 7.81 114 E 8.97 3.99 0.00 2.15 1.90 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 2.33 2.45 0.00 115 V 8.66 3.92 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 0.72 0.00 0.00 1.00 0.00 0.00 116 G 8.29 3.71 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 0.00 0.00 0.00 117 E 7.71 4.24 0.00 2.09 1.93 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 2.61 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.