NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.3680 8.0433 122.7601 55.1195 43.6016 175.8448 4 T 4.7739 8.6109 123.3485 62.1101 69.5310 168.8227 5 V 4.6962 9.5693 124.2696 60.9286 35.9829 172.1758 6 E 5.4827 9.6590 120.6694 54.6592 33.2144 175.1917 7 V 4.9590 9.1752 123.7066 60.9865 34.7388 174.3223 8 R 3.2647 9.1766 130.1541 55.3306 30.4889 176.6640 9 G 3.6802 9.6728 116.6507 44.6943 0.0000 174.4651 10 S 4.1094 8.2500 114.1044 60.5277 62.9887 174.8310 11 N 4.5977 8.0143 117.0859 52.5937 37.1760 176.2370 12 G 3.7886 8.0279 106.5123 45.9077 0.0000 173.9176 13 A 4.2325 8.3119 122.8365 50.9439 20.7296 176.1714 14 F 5.0067 8.2285 117.4358 55.9595 41.5883 174.5113 15 Y 4.9580 9.0866 121.8132 55.7896 40.7042 175.5149 16 K 4.6978 9.1383 124.9667 57.1261 34.1264 176.0917 17 G 4.4268 8.5909 110.9675 46.2660 0.0000 171.7659 18 F 5.5420 8.0344 113.7386 55.2375 41.9095 173.9257 19 I 4.3180 8.6861 122.0187 60.9709 36.8044 175.7097 20 K 4.4394 9.3377 130.0429 58.2834 33.1333 176.1122 21 D 4.7868 7.7643 117.1689 52.7085 45.0352 173.9338 22 V 4.5847 8.2627 122.5317 61.4890 33.6388 174.2847 23 H 5.1124 8.8150 125.7027 54.0444 32.3837 174.3418 24 E 4.2461 9.0592 116.5030 59.0542 29.1358 176.8984 25 D 5.4614 8.2358 113.9958 52.6135 40.9048 174.9667 26 S 4.7473 7.8519 115.2006 56.7468 67.5016 172.5206 27 L 4.8944 8.2896 120.1478 53.2838 45.9727 176.1494 28 T 4.8497 8.8759 118.8052 62.4489 70.0891 174.0732 29 V 5.1299 8.5639 120.6436 58.5428 34.3324 175.4980 30 V 4.2955 7.1991 123.5832 59.8583 34.0671 174.4952 31 F 4.9503 8.5306 121.1427 55.5122 40.4247 176.2601 32 E 4.4938 8.4090 125.2828 53.8662 28.1888 176.3082 33 N 4.4984 7.4469 113.8661 52.2345 39.8922 175.5703 34 N 4.2920 9.0299 119.8507 55.1612 39.3014 175.6413 35 W 4.5181 8.9107 117.9754 59.5985 29.4501 176.6275 36 Q 4.5728 7.6442 115.6357 53.3537 30.3049 173.9451 37 P 4.6697 0.0000 0.0000 61.2091 32.6009 175.2421 38 E 4.3114 8.4795 120.3233 57.6757 30.1282 176.3594 39 R 4.7895 8.7329 124.6592 55.5521 35.3310 174.8337 40 Q 4.7392 8.6290 123.1843 55.4300 29.0910 175.2265 41 V 4.5692 8.5666 124.1500 59.1434 35.3304 173.1910 42 P 4.5782 0.0000 0.0000 62.3568 31.9636 177.2743 43 F 4.1819 8.9814 120.3094 60.7501 38.9565 176.4188 44 N 4.8710 8.3158 115.1259 53.3772 37.3399 174.8478 45 E 4.7719 8.4321 117.2763 56.2526 31.5804 175.3512 46 V 5.1852 7.7621 119.9563 61.2350 35.3895 174.2936 47 R 5.0009 9.1669 122.5481 54.5872 33.4829 173.9732 48 L 4.6500 8.3834 119.4428 53.3699 42.5632 175.4567 49 P 4.4743 0.0000 0.0000 62.1244 31.9280 174.1632 50 P 4.3999 0.0000 0.0000 61.1953 31.9663 174.6289 51 P 4.4583 0.0000 0.0000 60.8651 32.4889 173.9257 52 P 4.0473 0.0000 0.0000 63.5259 30.9101 176.5725 *59 S 4.2982 8.3660 119.5595 57.2714 63.7906 169.9678 60 E 4.1218 8.7966 123.9473 57.5063 29.6784 177.9445 61 G 4.0504 8.7749 110.8572 45.3895 0.0000 173.7780 62 D 4.5781 7.7473 119.4826 54.3261 42.2257 174.9698 63 E 4.8027 8.6514 122.8690 55.5667 30.8100 175.3931 64 V 4.6925 9.0140 119.8316 60.0100 36.6238 173.9157 65 E 5.4369 9.2164 120.3079 55.2733 32.9856 175.9672 66 V 5.0001 9.3829 120.4124 60.4897 35.4308 173.9115 67 Y 4.0113 8.6091 125.0938 57.1631 38.7762 174.2196 68 S 4.5980 8.8457 125.3596 58.5608 68.4443 173.3232 69 R 4.9587 7.9537 117.6423 54.5825 33.0220 168.5124 *75 P 4.5015 0.0000 0.0000 64.5960 32.1157 175.9753 76 C 4.7842 8.1576 119.9060 58.7588 29.1742 172.8517 77 G 3.1134 7.2335 108.3515 45.2152 0.0000 171.1705 78 W 5.2293 8.4929 120.6203 55.5681 30.1747 176.2663 79 W 5.1291 9.4557 125.3548 54.6868 31.9312 175.3292 80 L 4.8206 8.6512 122.3195 54.7365 42.5348 175.9136 81 A 4.9915 9.4767 126.9984 51.2215 23.4540 175.2597 82 K 5.0419 8.9012 122.3637 53.2568 35.6936 176.7838 83 V 4.2195 8.6625 125.0435 62.1469 31.5934 176.8799 84 R 4.1488 9.1704 129.2408 59.3941 30.8729 177.1273 85 M 4.6859 7.6041 114.4932 54.9650 35.5253 173.4142 86 M 5.1351 9.7381 127.3584 54.2106 35.3716 176.3994 87 K 4.3916 8.9907 123.2772 54.4251 37.0492 173.8989 88 G 3.7801 8.7695 115.2436 46.2508 0.0000 175.3220 89 E 3.9544 8.2330 117.3593 56.9531 30.1727 173.5292 90 F 5.7690 7.7421 117.1954 57.0006 42.3387 174.2996 91 Y 5.1935 9.2388 118.6258 56.3632 42.0072 174.5458 92 V 4.6904 9.3206 125.0774 61.8355 33.1455 174.8469 93 I 5.1805 9.1523 121.7330 59.1976 41.0148 173.9741 94 E 5.1330 9.1771 122.9633 55.3077 32.7952 174.5138 95 Y 4.8340 9.0974 123.3713 59.8624 38.9651 176.4228 *102 Y 4.3102 7.4694 117.3289 57.4257 39.3897 174.9144 103 N 5.8672 8.1148 113.5401 51.9333 42.8000 173.8096 104 E 4.7353 8.8071 123.3564 55.8771 33.5257 174.1597 105 I 4.9832 8.3548 125.3024 59.5907 36.8763 175.2979 106 V 4.8992 9.2085 120.6839 58.8838 36.2642 174.4716 107 T 5.3120 8.0867 110.2320 59.4849 71.8105 175.6826 108 F 4.1731 9.1025 124.8436 61.5181 39.8954 177.4532 109 E 3.9560 8.2098 116.3676 58.2427 29.8567 177.1313 110 R 4.6316 8.5361 118.7736 55.9516 31.2404 175.5546 111 L 5.5887 7.6545 118.1183 53.4587 45.9792 175.6266 112 R 4.4326 8.1944 115.2872 54.8242 32.9275 172.4562 113 P 4.6642 0.0000 0.0000 61.9031 32.3347 176.7465 114 V 3.3754 8.2717 121.2539 62.9671 31.7513 175.1446 115 N 4.1351 8.3844 125.4372 54.0068 38.5843 174.7832 116 Q 4.0700 8.4648 125.4954 58.0480 29.3083 176.7295 117 N 4.1764 8.0706 117.4784 54.3094 39.0633 175.3112 118 K 4.4099 8.1546 122.5219 53.2280 33.4344 176.1422 119 T 5.1113 7.9651 108.4705 61.9251 70.2040 173.6924 120 V 4.0730 8.0933 123.8946 63.0056 32.5594 176.9364 121 K 4.2575 8.4621 128.7737 55.3091 31.5079 175.4078 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 L 8.04 4.37 0.00 1.81 1.67 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.61 4.77 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 1.33 0.00 0.00 5 V 9.57 4.70 2.11 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 0.68 0.00 0.00 1.02 0.00 0.00 6 E 9.66 5.48 0.00 1.93 2.22 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 2.40 2.29 0.00 7 V 9.18 4.96 2.38 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 1.11 0.00 0.00 0.94 0.00 0.00 8 R 9.18 3.26 0.00 0.93 1.52 0.00 3.22 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.88 0.00 9 G 9.67 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 0.00 0.00 0.00 10 S 8.25 4.11 0.00 3.93 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 11 N 8.01 4.60 0.00 3.09 3.03 0.00 0.00 6.08 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 12 G 8.03 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 0.00 0.00 0.00 13 A 8.31 4.23 -0.45 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 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.23 5.01 0.00 3.05 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 15 Y 9.09 4.96 0.00 2.97 3.02 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 16 K 9.14 4.70 0.00 2.13 1.91 0.00 1.94 0.00 0.00 2.14 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.67 1.62 7.81 17 G 8.59 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.03 5.54 0.00 3.12 3.11 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 19 I 8.69 4.32 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.56 0.94 0.00 0.00 20 K 9.34 4.44 0.00 1.67 1.84 0.00 1.92 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.54 7.81 21 D 7.76 4.79 0.00 2.76 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 22 V 8.26 4.58 2.11 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 1.00 0.00 0.00 0.95 0.00 0.00 23 H 8.82 5.11 0.00 3.36 3.18 0.00 5.75 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 9.06 4.25 0.00 1.98 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 2.24 1.91 0.00 25 D 8.24 5.46 0.00 2.85 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 26 S 7.85 4.75 0.00 3.82 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.29 4.89 0.00 1.35 1.51 0.72 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.88 4.85 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 1.16 0.00 0.00 29 V 8.56 5.13 1.48 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 0.29 0.00 0.00 0.33 0.00 0.00 30 V 7.20 4.30 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 0.34 0.00 0.00 0.63 0.00 0.00 31 F 8.53 4.95 0.00 3.15 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 32 E 8.41 4.49 0.00 2.15 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 2.49 2.47 0.00 33 N 7.45 4.50 0.00 3.08 3.03 0.00 0.00 5.73 6.96 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 34 N 9.03 4.29 0.00 2.65 2.71 0.00 0.00 7.14 7.95 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 35 W 8.91 4.52 0.00 3.43 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 36 Q 7.64 4.57 0.00 1.19 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.93 0.00 0.00 0.00 0.00 0.00 1.87 2.10 0.00 37 P 0.00 4.67 0.00 2.08 2.01 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 38 E 8.48 4.31 0.00 1.98 1.89 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 2.22 2.30 0.00 39 R 8.73 4.79 0.00 1.90 1.79 0.00 3.15 0.00 0.00 3.45 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 2.06 0.00 40 Q 8.63 4.74 0.00 1.84 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.72 0.00 0.00 0.00 0.00 0.00 2.27 1.92 0.00 41 V 8.57 4.57 1.96 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 1.01 0.00 0.00 0.92 0.00 0.00 42 P 0.00 4.58 0.00 2.51 2.19 0.00 3.83 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.02 0.00 43 F 8.98 4.18 0.00 3.05 3.14 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 0.00 0.00 0.00 44 N 8.32 4.87 0.00 2.89 2.99 0.00 0.00 5.84 7.66 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 45 E 8.43 4.77 0.00 2.14 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 2.19 2.23 0.00 46 V 7.76 5.19 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 1.08 0.00 0.00 0.92 0.00 0.00 47 R 9.17 5.00 0.00 1.85 1.94 0.00 2.42 0.00 0.00 2.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.45 0.00 48 L 8.38 4.65 0.00 1.52 1.61 0.94 1.02 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 49 P 0.00 4.47 0.00 2.12 2.06 0.00 3.77 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 1.96 2.00 0.00 50 P 0.00 4.40 0.00 1.90 1.85 0.00 3.47 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 1.69 1.90 0.00 51 P 0.00 4.46 0.00 2.14 2.03 0.00 3.68 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 1.93 1.90 0.00 52 P 0.00 4.05 0.00 2.17 2.12 0.00 3.76 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 1.96 1.93 0.00 *59 S 8.37 4.30 0.00 3.70 3.83 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 60 E 8.80 4.12 0.00 1.97 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 2.38 2.42 0.00 61 G 8.77 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 62 D 7.75 4.58 0.00 2.82 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 63 E 8.65 4.80 0.00 1.99 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 2.27 2.30 0.00 64 V 9.01 4.69 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 0.72 0.00 0.00 1.02 0.00 0.00 65 E 9.22 5.44 0.00 1.82 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 0.00 2.42 2.23 0.00 66 V 9.38 5.00 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 0.46 0.00 0.00 1.04 0.00 0.00 67 Y 8.61 4.01 0.00 1.93 2.66 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 68 S 8.85 4.60 0.00 3.72 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 69 R 7.95 4.96 0.00 1.76 1.67 0.00 3.30 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.17 0.00 *75 P 0.00 4.50 0.00 2.24 2.28 0.00 3.35 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.35 0.00 76 C 8.16 4.78 0.00 2.79 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 77 G 7.23 3.11 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 0.00 78 W 8.49 5.23 0.00 3.35 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 79 W 9.46 5.13 0.00 2.96 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 80 L 8.65 4.82 0.00 1.72 1.77 1.01 0.81 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 81 A 9.48 4.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.90 5.04 0.00 1.41 1.64 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.25 1.21 7.81 83 V 8.66 4.22 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 1.08 0.00 0.00 1.07 0.00 0.00 84 R 9.17 4.15 0.00 1.90 2.02 0.00 3.35 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 85 M 7.60 4.69 0.00 2.07 1.85 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 86 M 9.74 5.14 0.00 1.41 1.78 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 87 K 8.99 4.39 0.00 1.65 1.62 0.00 1.94 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.25 7.81 88 G 8.77 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 89 E 8.23 3.95 0.00 1.91 1.96 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 2.31 1.90 0.00 90 F 7.74 5.77 0.00 3.15 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 91 Y 9.24 5.19 0.00 2.95 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 92 V 9.32 4.69 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 1.11 0.00 0.00 0.97 0.00 0.00 93 I 9.15 5.18 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.90 1.03 0.00 0.00 94 E 9.18 5.13 0.00 2.15 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 2.28 2.56 0.00 95 Y 9.10 4.83 0.00 2.73 2.94 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 0.00 0.00 0.00 *102 Y 7.47 4.31 0.00 2.03 2.23 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 0.00 103 N 8.11 5.87 0.00 2.50 2.69 0.00 0.00 7.00 7.66 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 0.00 104 E 8.81 4.74 0.00 2.04 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 2.33 2.30 0.00 105 I 8.35 4.98 1.87 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 1.34 0.86 0.91 0.00 0.00 106 V 9.21 4.90 2.20 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 0.81 0.00 0.00 1.11 0.00 0.00 107 T 8.09 5.31 4.37 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 1.29 0.00 0.00 108 F 9.10 4.17 0.00 3.13 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 0.00 109 E 8.21 3.96 0.00 2.09 2.03 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 2.33 2.31 0.00 110 R 8.54 4.63 0.00 1.94 2.03 0.00 3.15 0.00 0.00 3.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 111 L 7.65 5.59 0.00 1.58 1.43 0.28 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 112 R 8.19 4.43 0.00 1.53 1.68 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.21 0.00 113 P 0.00 4.66 0.00 1.90 2.00 0.00 3.57 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 1.99 2.08 0.00 114 V 8.27 3.38 2.03 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 0.75 0.00 0.00 0.99 0.00 0.00 115 N 8.38 4.14 0.00 2.55 2.46 0.00 0.00 7.26 6.80 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 0.00 116 Q 8.46 4.07 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 117 N 8.07 4.18 0.00 2.79 2.72 0.00 0.00 6.81 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 0.00 118 K 8.15 4.41 0.00 1.77 1.59 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 0.98 7.81 119 T 7.97 5.11 4.61 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 1.37 0.00 0.00 120 V 8.09 4.07 2.45 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 0.86 0.00 0.00 1.03 0.00 0.00 121 K 8.46 4.26 0.00 1.57 1.55 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.29 0.99 7.81 * Residues marked with a * may have inaccurate shift predictions.