NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.5113 8.2993 122.0720 56.6901 35.1824 174.9848 4 V 4.4306 8.3776 118.0732 58.4391 34.1720 173.6500 5 C 4.2773 9.5573 124.2727 59.1107 32.5022 175.4776 6 E 4.1983 8.4960 124.9422 57.9508 28.0686 176.9901 7 I 4.5711 7.9612 119.8473 62.8598 41.4681 177.7803 8 S 4.0087 7.8653 113.4241 59.3299 62.9599 175.6371 9 G 3.9661 7.4858 108.6074 45.0734 0.0000 173.9111 10 K 4.1235 7.3291 119.4015 57.3885 33.1241 176.0821 11 R 5.0638 8.3115 118.4827 53.7740 32.6547 172.5750 12 P 4.5369 0.0000 0.0000 63.7058 31.6752 175.1462 13 I 4.6832 8.1439 113.6180 59.1835 41.7049 173.9113 14 V 4.5883 8.2420 122.1488 62.1513 32.5803 174.7051 15 A 4.8094 9.2293 127.9988 50.6300 23.1667 174.2904 16 N 5.3467 8.6876 115.8879 51.8775 41.3131 175.4962 17 S 4.5726 8.8961 118.2073 56.8599 62.9935 171.5856 18 I 4.4376 8.0592 126.1008 60.3060 38.1980 175.0122 19 Q 4.5248 8.9038 127.1166 54.6956 30.0583 175.2709 20 R 5.7114 8.4027 122.1612 54.1039 33.8428 175.4606 21 R 4.5589 8.4648 117.9782 55.9796 34.7362 174.4051 22 G 4.1862 9.1958 111.4081 43.9084 0.0000 173.9480 23 K 3.8469 8.8064 121.9786 56.0162 32.2494 176.9542 24 A 4.2725 8.6139 126.1170 52.5112 19.0024 177.4429 25 K 4.2118 8.3317 118.2156 57.4966 32.8064 177.9749 26 R 4.1383 7.9334 118.1159 58.4453 31.0660 175.2723 27 E 4.4609 8.1923 118.7302 57.2471 36.0226 180.2394 28 G 2.8553 10.0688 103.3909 43.6851 0.0000 176.0295 29 G 3.8270 5.4605 108.7082 45.8322 0.0000 174.2436 30 V 3.1691 9.8041 111.8830 64.4436 30.7047 172.8194 31 G 3.9341 6.7249 100.8975 43.3566 0.0000 173.2713 32 K 4.3985 8.1791 119.2312 55.8199 33.2026 176.7961 33 K 4.6376 8.2834 118.6266 55.3300 36.7519 176.0352 34 T 4.6514 8.5143 121.5164 62.9289 68.2511 174.5863 35 T 4.0125 9.1834 123.9452 64.7195 68.2093 175.0478 36 G 4.1114 7.4909 104.3883 45.6567 0.0000 172.5572 37 I 5.1782 8.5038 123.1967 59.7224 39.9359 175.1897 38 S 4.7052 8.1954 119.0010 57.0063 67.7416 173.2593 39 K 4.7716 8.6148 124.5510 56.2834 33.0764 175.9113 40 R 4.6745 8.7362 121.4939 55.5518 33.1135 174.2805 41 R 4.8188 8.4504 119.3906 55.2272 32.8914 176.1068 42 Q 4.4092 8.4422 118.0401 54.6662 31.9898 174.9826 43 Y 4.6436 8.7634 121.7204 56.5751 39.4170 173.8745 44 P 4.5230 0.0000 0.0000 62.3275 32.8918 176.9257 45 N 4.8905 8.5068 122.0309 53.2072 36.9940 174.2772 46 L 4.5419 7.6497 119.4968 55.9382 42.5050 178.3286 47 Q 4.6635 9.1272 120.8824 55.2100 32.9543 174.1109 48 K 5.1487 8.7399 121.8143 55.9121 36.6015 176.6308 49 V 4.3565 9.4245 123.6139 61.5630 34.3060 174.2570 50 R 4.9057 8.8260 127.1364 54.5866 31.7601 176.8306 51 V 3.8169 8.4119 119.0666 62.9168 34.0434 172.8207 52 R 3.2905 8.8979 118.4993 56.4164 30.7248 175.8437 53 V 3.1080 8.8144 122.5648 63.7664 30.3647 173.6041 54 A 3.6932 7.8569 127.1236 51.9307 16.2894 180.2681 55 G 4.0366 8.6946 106.8932 46.8687 0.0000 172.8156 56 Q 4.5316 7.8711 119.0562 54.4088 32.7004 174.2128 57 E 4.1882 8.6767 116.2243 56.6549 31.9832 175.5162 58 I 2.9987 7.5054 111.0972 61.4361 37.8601 172.2825 59 T 4.7711 7.9443 113.0759 59.7884 71.2877 173.6182 60 F 5.0075 8.7976 122.2629 55.8810 42.2537 174.2798 61 R 5.1392 10.6400 126.7353 54.4088 30.6922 175.3004 62 V 4.7825 8.1305 125.0315 59.3524 35.5836 174.7750 63 A 4.3673 8.7285 123.2374 52.4557 19.3936 178.6260 64 A 4.0329 8.6484 122.8543 55.6575 18.5694 181.0279 65 S 4.5366 8.0098 106.2052 59.1164 62.7793 174.4707 66 H 4.7331 8.3517 117.9198 55.5784 31.1274 175.9164 67 I 3.7048 7.5959 120.1237 63.8748 36.8762 175.6134 68 P 4.3355 0.0000 0.0000 66.2916 30.5333 177.8817 69 K 3.8309 7.9552 118.1367 59.0931 31.8897 178.1743 70 V 3.4091 7.8360 118.4950 66.3244 31.2986 177.7363 71 Y 3.9336 7.8375 115.7171 60.7661 37.4325 177.0937 72 E 4.1964 8.4049 117.0055 57.3232 29.4945 177.3218 73 L 4.1623 7.8203 119.8527 56.5788 43.4970 177.8316 74 V 3.8302 7.2728 115.9214 64.3293 31.8855 176.9916 75 E 4.2282 8.0095 118.6315 59.4643 29.7847 177.9351 76 R 4.0496 7.4079 116.4412 59.5232 30.1246 178.1196 77 A 3.8950 8.3527 120.0771 54.8393 18.3314 181.3120 78 K 4.4858 7.9321 115.2220 58.6148 34.9890 177.2918 79 G 3.9390 7.6937 107.3704 42.9304 0.0000 172.2405 80 L 4.3246 6.9357 119.2824 54.7752 45.0907 172.8354 81 K 4.3162 8.7170 126.2048 54.8742 32.8124 176.0471 82 L 4.6344 8.2877 126.2744 54.4421 42.4145 174.5218 83 E 4.3390 8.0522 126.4871 55.9978 32.2469 174.9427 84 G 4.0232 8.8176 111.6375 45.4828 0.0000 174.5302 85 L 4.3119 8.1249 119.9756 54.9019 39.6703 178.2415 86 S 4.7653 7.7469 124.3072 55.1634 63.1816 175.0475 87 P 3.9050 0.0000 0.0000 66.5148 31.4158 177.7518 88 K 3.9073 7.8975 119.2553 59.3309 31.9884 178.5720 89 E 3.9577 7.9849 118.5026 59.1850 29.3989 178.6778 90 I 3.6895 8.3629 120.7680 64.5536 37.0103 177.7505 91 K 3.8754 7.4681 118.7535 59.6935 32.0496 177.9157 92 K 4.0075 7.9555 118.5274 59.9488 32.0996 177.8040 93 E 4.3286 9.4551 116.9407 58.5009 29.6995 176.8717 94 L 3.6627 8.3591 124.3665 56.1499 40.9471 181.8015 95 L 2.7028 7.4277 122.8711 56.2089 44.0312 176.6110 *96 K 4.1215 7.7766 130.5211 55.1095 32.3453 177.9285 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 8.30 4.51 0.00 1.80 1.67 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.54 7.81 4 V 8.38 4.43 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 0.78 0.00 0.00 0.98 0.00 0.00 5 C 9.56 4.28 0.00 2.96 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 6 E 8.50 4.20 0.00 2.08 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 0.00 2.41 2.53 0.00 7 I 7.96 4.57 1.80 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 1.18 0.68 0.92 0.00 0.00 8 S 7.87 4.01 0.00 3.61 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 9 G 7.49 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 10 K 7.33 4.12 0.00 1.71 1.75 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.36 7.81 11 R 8.31 5.06 0.00 1.74 1.85 0.00 3.05 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 12 P 0.00 4.54 0.00 1.74 1.69 0.00 3.69 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 1.91 1.95 0.00 13 I 8.14 4.68 1.83 0.00 0.00 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 1.06 0.85 0.90 0.00 0.00 14 V 8.24 4.59 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 0.76 0.00 0.00 0.89 0.00 0.00 15 A 9.23 4.81 1.16 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 0.00 0.00 0.00 0.00 0.00 16 N 8.69 5.35 0.00 2.60 2.73 0.00 0.00 6.74 7.57 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 17 S 8.90 4.57 0.00 3.88 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 18 I 8.06 4.44 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 0.67 0.91 0.00 0.00 19 Q 8.90 4.52 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.66 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 20 R 8.40 5.71 0.00 1.65 1.80 0.00 3.27 0.00 0.00 3.88 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.46 0.00 21 R 8.46 4.56 0.00 1.72 1.76 0.00 3.10 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 22 G 9.20 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 0.00 0.00 0.00 0.00 23 K 8.81 3.85 0.00 1.83 1.76 0.00 1.69 0.00 0.00 1.94 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.45 7.81 24 A 8.61 4.27 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 0.00 0.00 25 K 8.33 4.21 0.00 1.79 1.80 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.41 7.81 26 R 7.93 4.14 0.00 1.80 1.96 0.00 3.32 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 1.62 1.64 0.00 27 E 8.19 4.46 0.00 2.05 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 2.14 2.22 0.00 28 G 10.07 2.86 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 29 G 5.46 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 30 V 9.80 3.17 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 0.68 0.00 0.00 0.93 0.00 0.00 31 G 6.72 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 32 K 8.18 4.40 0.00 1.76 1.76 0.00 1.73 0.00 0.00 1.97 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.40 7.81 33 K 8.28 4.64 0.00 1.69 1.63 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.56 7.81 34 T 8.51 4.65 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 1.27 0.00 0.00 35 T 9.18 4.01 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 1.28 0.00 0.00 36 G 7.49 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 37 I 8.50 5.18 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 0.69 0.91 0.00 0.00 38 S 8.20 4.71 0.00 3.86 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 39 K 8.61 4.77 0.00 1.74 1.69 0.00 1.69 0.00 0.00 1.92 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.48 7.81 40 R 8.74 4.67 0.00 1.97 1.97 0.00 2.86 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.75 0.00 41 R 8.45 4.82 0.00 1.43 1.45 0.00 3.12 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 42 Q 8.44 4.41 0.00 1.90 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.88 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 43 Y 8.76 4.64 0.00 2.83 2.91 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 44 P 0.00 4.52 0.00 2.09 1.99 0.00 3.84 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 2.06 2.02 0.00 45 N 8.51 4.89 0.00 2.84 2.76 0.00 0.00 6.94 6.66 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 46 L 7.65 4.54 0.00 1.86 1.73 1.07 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 9.13 4.66 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 48 K 8.74 5.15 0.00 1.58 1.67 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.49 7.81 49 V 9.42 4.36 2.18 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 1.08 0.00 0.00 1.02 0.00 0.00 50 R 8.83 4.91 0.00 1.74 1.82 0.00 3.36 0.00 0.00 3.93 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.46 0.00 51 V 8.41 3.82 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 0.55 0.00 0.00 0.90 0.00 0.00 52 R 8.90 3.29 0.00 1.85 1.81 0.00 3.57 0.00 0.00 2.72 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 53 V 8.81 3.11 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 0.76 0.00 0.00 0.99 0.00 0.00 54 A 7.86 3.69 1.36 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 0.00 0.00 55 G 8.69 4.04 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 0.00 0.00 0.00 56 Q 7.87 4.53 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.52 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 57 E 8.68 4.19 0.00 1.93 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 2.22 2.23 0.00 58 I 7.51 3.00 1.60 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 -0.10 0.82 0.00 0.00 59 T 7.94 4.77 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 1.14 0.00 0.00 60 F 8.80 5.01 0.00 3.11 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 61 R 10.64 5.14 0.00 1.73 1.88 0.00 3.28 0.00 0.00 3.35 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.57 0.00 62 V 8.13 4.78 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 0.91 0.00 0.00 0.92 0.00 0.00 63 A 8.73 4.37 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 64 A 8.65 4.03 1.43 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 65 S 8.01 4.54 0.00 4.01 3.99 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 66 H 8.35 4.73 0.00 3.35 3.31 0.00 5.85 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 67 I 7.60 3.70 1.94 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 1.64 0.86 1.09 0.00 0.00 68 P 0.00 4.34 0.00 2.26 2.34 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 69 K 7.96 3.83 0.00 1.71 1.96 0.00 1.69 0.00 0.00 1.59 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 70 V 7.84 3.41 2.02 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 0.50 0.00 0.00 0.73 0.00 0.00 71 Y 7.84 3.93 0.00 3.28 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 72 E 8.40 4.20 0.00 2.04 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 2.32 2.47 0.00 73 L 7.82 4.16 0.00 1.85 1.60 0.88 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.27 3.83 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 0.88 0.00 0.00 0.93 0.00 0.00 75 E 8.01 4.23 0.00 2.16 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 2.36 2.46 0.00 76 R 7.41 4.05 0.00 1.69 2.00 0.00 3.23 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 77 A 8.35 3.90 1.43 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 78 K 7.93 4.49 0.00 2.03 1.92 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.45 7.81 79 G 7.69 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 80 L 6.94 4.32 0.00 1.58 1.51 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.72 4.32 0.00 1.75 1.70 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.58 7.81 82 L 8.29 4.63 0.00 1.73 1.61 0.98 0.61 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 83 E 8.05 4.34 0.00 1.89 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 2.20 2.34 0.00 84 G 8.82 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 85 L 8.12 4.31 0.00 1.64 1.65 0.91 0.79 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 86 S 7.75 4.77 0.00 3.98 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 87 P 0.00 3.91 0.00 2.23 2.58 0.00 3.67 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 2.03 1.98 0.00 88 K 7.90 3.91 0.00 1.81 1.81 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.49 7.81 89 E 7.98 3.96 0.00 2.22 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 2.39 0.00 90 I 8.36 3.69 2.01 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 1.64 0.95 0.92 0.00 0.00 91 K 7.47 3.88 0.00 1.58 2.06 0.00 1.51 0.00 0.00 1.53 0.00 0.00 3.16 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.56 1.35 7.81 92 K 7.96 4.01 0.00 1.76 2.00 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.62 7.81 93 E 9.46 4.33 0.00 2.21 2.02 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 2.53 2.51 0.00 94 L 8.36 3.66 0.00 1.83 1.74 1.10 1.04 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 L 7.43 2.70 0.00 1.70 1.92 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 *96 K 7.78 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.