NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4839 8.2931 118.1931 55.3820 32.3054 172.3805 2 G 3.8318 7.9551 105.0629 45.2875 0.0000 168.9873 3 K 4.3410 9.0373 115.3879 57.6258 35.6491 174.7621 4 G 3.5733 7.7349 103.8912 47.4436 0.0000 175.3943 5 T 4.1344 7.9433 117.2724 65.8789 68.5791 174.9945 6 P 4.2682 0.0000 0.0000 64.2093 31.5808 177.1832 7 S 4.3312 7.3590 112.5105 59.6055 62.6594 176.0196 8 F 4.1092 8.2893 120.0616 60.5424 38.9189 177.7192 9 G 3.5542 8.3655 108.1212 48.4816 0.0000 174.1774 10 K 3.9697 7.4104 120.7457 59.1289 32.8444 178.6620 11 R 3.6760 7.1005 114.3911 56.1478 27.9880 173.9555 12 H 4.8275 7.6892 115.0450 55.0004 25.5048 176.1096 13 N 4.8150 7.6685 120.2602 51.0864 40.5555 174.7120 14 K 4.6169 8.2542 118.2152 54.8111 35.0290 176.6738 15 S 4.3486 8.8830 119.2696 61.7370 64.3391 173.8952 16 H 5.1167 8.2293 118.6292 54.9483 28.8331 174.5084 17 T 4.8553 8.8059 113.1633 59.1363 72.7543 172.7775 18 L 4.1856 8.5323 123.2659 55.4307 42.8723 176.0044 19 C 4.5390 8.4384 124.9907 58.5568 32.8207 174.4049 20 N 4.1628 8.4624 123.2547 56.5303 38.4781 176.9275 21 R 3.8054 7.4138 116.6426 59.4037 30.5513 177.2422 22 C 4.1259 8.0200 111.2909 60.3325 30.0735 174.8211 23 G 3.9355 7.7987 104.2824 44.8534 0.0000 172.8439 24 R 4.5522 7.7009 117.2751 53.7839 32.9373 175.4851 25 R 4.4586 8.4385 121.6647 56.6061 29.3672 176.4733 26 S 4.7282 8.3503 117.7524 59.1302 68.4578 173.8508 27 F 4.7462 8.3246 124.6084 57.8105 40.3987 174.2063 28 H 4.5481 8.4655 128.1143 55.0706 29.5318 175.9493 29 V 3.5257 8.8198 127.6716 65.9874 31.8204 177.5219 30 Q 4.0743 7.9555 117.4107 58.9718 28.5873 178.0495 31 K 3.8733 7.1141 114.8051 56.9340 32.7403 176.9202 32 K 3.2348 7.1981 117.4334 57.1805 30.0172 175.4256 33 T 4.5852 6.6713 107.0032 60.1013 72.4484 173.1169 34 C 5.1498 8.8128 125.3745 57.3955 33.4243 173.9698 35 S 4.5245 8.2537 124.6443 57.1412 59.9856 172.6180 36 S 4.7178 7.9910 114.6172 59.1171 70.0800 173.8461 37 C 4.2703 8.2063 115.8732 58.2628 31.0411 171.4764 38 G 4.1752 7.9152 108.8575 45.6779 0.0000 171.5445 39 Y 5.0487 7.6638 121.7964 54.7616 42.4778 173.0988 40 P 4.2517 0.0000 0.0000 63.2207 31.5084 175.5126 41 A 4.3796 8.1177 120.7893 51.7106 21.4713 176.2052 42 A 4.1457 9.1421 126.4574 54.4977 18.7258 178.0378 43 K 4.5978 7.5993 112.5534 55.2443 34.8572 176.0705 44 T 4.3453 8.0484 116.5983 63.4388 69.3065 174.6985 45 R 3.9196 8.3030 124.7170 56.3533 30.7416 176.5236 46 S 4.3355 7.8268 118.6424 56.8961 66.7792 173.0264 47 Y 4.5132 7.9339 121.3631 56.0779 39.6678 176.2878 48 N 4.2641 8.7149 122.9581 54.9197 39.2088 176.6896 49 W 4.3627 8.1236 115.3878 59.0811 28.4682 177.3048 50 G 3.3405 6.3177 106.9586 44.6206 0.0000 173.8120 51 A 4.3001 8.3392 124.3219 51.0889 20.6750 178.3423 52 K 3.8124 8.5922 119.3702 59.7590 31.5317 178.5932 53 A 3.8852 7.8550 120.4369 55.1984 18.4340 179.4546 54 K 3.9900 7.9245 117.6068 59.5387 32.3544 179.0920 55 R 3.8411 7.7180 118.0757 59.1095 29.8274 178.9655 56 R 3.8478 8.1024 118.6240 59.6150 29.8341 178.2593 57 H 4.2674 7.3709 113.8021 59.3718 28.8282 177.5956 58 T 3.9933 7.6612 116.0463 66.7575 68.2624 176.5795 59 T 3.9742 7.5624 116.9537 65.3386 68.8681 173.8463 60 G 3.9384 7.5033 110.4027 46.3678 0.0000 173.1078 61 T 4.2517 8.3467 116.9628 61.8052 67.6051 175.6049 62 G 3.8941 7.6264 107.8183 49.3834 0.0000 176.1468 63 R 4.4216 7.5070 116.3633 55.3573 29.3288 176.0724 64 M 4.1948 8.9121 112.7984 57.1620 33.4646 178.5855 65 R 4.2686 8.1148 120.2002 57.7647 29.5862 177.9552 66 Y 4.2636 7.6434 117.0694 60.6360 38.7876 177.6008 67 L 3.7654 7.8220 119.4455 57.4900 41.7723 179.5583 68 K 3.8544 7.7409 118.0956 59.4935 32.0660 178.6903 69 H 4.0810 7.6267 117.4322 59.1342 29.7052 177.3464 70 V 3.2824 7.0295 119.8588 65.9699 31.2126 177.5244 71 S 2.0000 7.5294 112.7406 61.0706 61.8111 176.3662 72 R 3.6654 7.3748 119.4879 59.0425 29.8283 178.0959 73 R 3.9287 7.5411 118.1693 59.1948 30.1688 178.2695 74 F 4.3859 7.4723 112.9920 59.8254 38.2391 177.0829 75 K 4.0430 8.9550 116.6659 56.1795 30.8057 176.2531 76 N 4.8761 8.2900 124.2685 53.0722 44.4625 174.4920 77 G 3.1850 8.3027 113.0438 44.9276 0.0000 173.1312 78 F 4.7148 7.1713 118.9633 55.5454 42.7747 173.8002 79 Q 4.5282 8.5634 124.2925 54.4716 32.0043 173.9163 80 T 4.6795 7.9883 117.9599 60.3159 70.5284 172.9256 81 G 4.1135 8.0023 112.3130 45.5765 0.0000 174.4074 82 S 4.7606 8.4327 119.0988 58.3285 62.0617 174.7513 83 A 4.3462 9.2357 128.0365 56.8983 20.9435 175.7318 *84 S 4.7880 8.4957 108.1289 57.7464 64.3133 173.9007 *85 K 4.9204 8.9573 124.8113 54.0730 30.5478 171.2453 86 A 4.6469 7.2174 125.1502 51.9044 18.6307 180.2863 *87 S 4.5331 8.5567 108.5773 60.3015 67.4962 172.0883 88 A 4.3930 7.9637 126.7895 52.1236 18.9903 176.3278 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 M 8.29 4.48 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.59 0.00 2 G 7.96 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 0.00 0.00 0.00 3 K 9.04 4.34 0.00 1.67 1.75 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.36 7.81 4 G 7.73 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.94 4.13 4.30 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 1.30 0.00 0.00 6 P 0.00 4.27 0.00 2.03 2.11 0.00 3.64 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.08 0.00 7 S 7.36 4.33 0.00 3.78 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 8 F 8.29 4.11 0.00 3.39 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 9 G 8.37 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.41 3.97 0.00 1.59 1.86 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.44 7.81 11 R 7.10 3.68 0.00 1.69 1.77 0.00 3.24 0.00 0.00 3.42 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.59 0.00 12 H 7.69 4.83 0.00 3.36 3.46 0.00 5.71 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 N 7.67 4.82 0.00 2.82 2.85 0.00 0.00 6.65 7.61 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 14 K 8.25 4.62 0.00 1.72 1.87 0.00 1.67 0.00 0.00 1.79 0.00 0.00 3.18 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.49 7.81 15 S 8.88 4.35 0.00 3.97 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 0.00 16 H 8.23 5.12 0.00 3.10 3.36 0.00 5.64 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 17 T 8.81 4.86 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 1.29 0.00 0.00 18 L 8.53 4.19 0.00 1.69 1.63 0.99 0.86 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 19 C 8.44 4.54 0.00 3.22 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 20 N 8.46 4.16 0.00 2.19 2.60 0.00 0.00 6.92 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 21 R 7.41 3.81 0.00 1.20 1.75 0.00 3.24 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.46 0.00 22 C 8.02 4.13 0.00 3.13 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 23 G 7.80 3.94 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 0.00 0.00 0.00 24 R 7.70 4.55 0.00 1.87 1.82 0.00 3.12 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 25 R 8.44 4.46 0.00 1.82 1.92 0.00 3.32 0.00 0.00 3.50 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 26 S 8.35 4.73 0.00 3.90 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 27 F 8.32 4.75 0.00 3.26 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 28 H 8.47 4.55 0.00 3.03 3.13 0.00 5.66 0.00 0.00 0.00 0.00 6.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.82 3.53 2.26 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 0.90 0.00 0.00 1.23 0.00 0.00 30 Q 7.96 4.07 0.00 1.83 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 31 K 7.11 3.87 0.00 1.41 1.70 0.00 1.70 0.00 0.00 1.57 0.00 0.00 3.10 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.47 7.81 32 K 7.20 3.23 0.00 1.81 1.83 0.00 1.76 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.38 7.81 33 T 6.67 4.59 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 1.17 0.00 0.00 34 C 8.81 5.15 0.00 3.46 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 35 S 8.25 4.52 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 36 S 7.99 4.72 0.00 3.85 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 37 C 8.21 4.27 0.00 3.17 3.18 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 0.00 38 G 7.92 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 0.00 0.00 0.00 0.00 39 Y 7.66 5.05 0.00 2.89 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 40 P 0.00 4.25 0.00 2.17 1.90 0.00 3.98 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 1.92 1.86 0.00 41 A 8.12 4.38 1.30 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 0.00 0.00 42 A 9.14 4.15 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 43 K 7.60 4.60 0.00 1.83 1.79 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.42 7.81 44 T 8.05 4.35 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 1.22 0.00 0.00 45 R 8.30 3.92 0.00 1.80 1.46 0.00 3.30 0.00 0.00 3.54 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 46 S 7.83 4.34 0.00 3.48 3.52 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 47 Y 7.93 4.51 0.00 1.90 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 48 N 8.71 4.26 0.00 2.71 2.87 0.00 0.00 7.19 7.68 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 49 W 8.12 4.36 0.00 3.44 3.18 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 0.00 50 G 6.32 3.34 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 0.00 0.00 0.00 51 A 8.34 4.30 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 52 K 8.59 3.81 0.00 1.82 1.81 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.50 7.81 53 A 7.86 3.89 1.32 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 0.00 0.00 0.00 54 K 7.92 3.99 0.00 1.82 1.89 0.00 1.60 0.00 0.00 1.45 0.00 0.00 2.62 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.47 7.81 55 R 7.72 3.84 0.00 2.03 1.90 0.00 3.28 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 56 R 8.10 3.85 0.00 1.95 1.89 0.00 3.07 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 57 H 7.37 4.27 0.00 3.31 3.33 0.00 5.72 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.66 3.99 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 1.16 0.00 0.00 59 T 7.56 3.97 4.39 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 1.19 0.00 0.00 60 G 7.50 3.94 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 0.00 0.00 0.00 61 T 8.35 4.25 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 1.21 0.00 0.00 62 G 7.63 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 63 R 7.51 4.42 0.00 1.93 1.97 0.00 3.04 0.00 0.00 3.22 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 64 M 8.91 4.19 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.58 0.00 65 R 8.11 4.27 0.00 2.14 2.13 0.00 3.14 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 66 Y 7.64 4.26 0.00 3.28 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 67 L 7.82 3.77 0.00 1.70 1.66 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.74 3.85 0.00 1.83 1.78 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.41 7.81 69 H 7.63 4.08 0.00 3.23 3.35 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.03 3.28 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 1.09 0.00 0.00 0.39 0.00 0.00 71 S 7.53 2.00 0.00 3.57 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 72 R 7.37 3.67 0.00 1.81 1.93 0.00 3.28 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 73 R 7.54 3.93 0.00 1.67 1.97 0.00 3.27 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 74 F 7.47 4.39 0.00 2.91 3.01 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 75 K 8.96 4.04 0.00 1.94 2.05 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.54 7.81 76 N 8.29 4.88 0.00 2.72 2.05 0.00 0.00 7.22 7.98 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 77 G 8.30 3.18 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 0.00 0.00 0.00 0.00 78 F 7.17 4.71 0.00 3.13 3.03 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 79 Q 8.56 4.53 0.00 1.82 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 80 T 7.99 4.68 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 81 G 8.00 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 0.00 0.00 0.00 82 S 8.43 4.76 0.00 3.86 3.56 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 0.00 83 A 9.24 4.35 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 *84 S 8.50 4.79 0.00 3.72 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 *85 K 8.96 4.92 0.00 1.88 1.62 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.13 0.73 7.81 86 A 7.22 4.65 1.24 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 *87 S 8.56 4.53 0.00 3.58 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 88 A 7.96 4.39 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 * Residues marked with a * may have inaccurate shift predictions.