NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 E 4.1157 8.3033 121.4743 57.3078 30.6814 175.6006 10 Y 3.9328 8.5084 121.5102 58.5205 35.8729 167.5412 11 E 4.4796 7.4623 121.0101 55.7103 29.2238 175.4437 12 D 4.7994 7.8574 115.4996 52.7377 40.6981 177.5975 13 G 3.9270 8.3385 106.9791 46.4185 0.0000 174.4929 14 R 4.3292 8.3151 117.2779 55.5664 31.2657 178.6164 15 G 3.6108 7.8437 105.1267 45.0732 0.0000 173.9321 16 F 3.9915 7.5223 112.1676 57.4050 36.4472 174.6326 17 G 3.9925 8.5448 110.8623 44.4989 0.0000 172.0855 18 I 3.9251 8.3659 119.9962 63.3200 37.2609 177.0476 19 G 4.0200 9.1574 114.0876 44.9920 0.0000 173.3828 20 E 4.2582 7.8788 120.5059 56.1347 30.9640 176.1557 21 L 4.6449 8.5842 124.4789 54.7369 43.1508 176.3792 22 V 5.1312 9.3130 116.0600 59.6788 36.9290 174.0511 23 W 5.4751 9.8337 122.4040 55.4671 31.2935 175.8496 24 G 4.9497 10.2110 111.2612 44.4381 0.0000 171.4108 25 K 4.5073 8.7430 124.8027 54.3047 33.8640 175.3533 26 L 4.7040 8.1054 126.9262 52.2996 44.3191 175.9460 27 R 3.8403 8.2963 121.6203 58.0080 30.2583 176.9043 28 G 3.7004 9.5844 113.3274 45.1093 0.0000 172.6770 29 F 4.8228 7.3908 116.5842 55.2454 42.9232 174.9196 30 S 4.3981 8.7015 119.0192 57.8341 63.4000 174.2165 31 W 4.7158 8.8470 121.6800 57.7812 29.3273 175.5177 32 W 5.1996 9.8507 134.0062 54.8320 33.8397 172.6661 33 P 4.5226 0.0000 0.0000 62.9103 32.2537 175.5770 34 G 4.3861 9.3233 110.4599 45.4399 0.0000 171.4678 35 R 5.2739 8.2361 115.3875 53.9530 33.0977 175.0446 36 I 4.2890 8.5761 122.9407 61.6736 38.0039 175.6243 37 V 4.7251 8.4436 119.6954 59.0866 35.4195 175.6972 38 S 4.5190 8.1027 116.4039 57.4754 63.2082 175.1265 39 W 3.6995 9.1404 122.7152 58.8810 27.8943 177.9060 40 W 3.6251 6.3428 113.5960 57.3771 27.8432 176.7055 41 M 3.8076 6.5788 118.4991 56.9688 31.6562 177.2884 42 T 2.0000 6.6165 107.5626 60.7457 69.2754 175.1638 43 G 3.8135 7.6551 109.2308 46.6577 0.0000 173.5514 44 R 4.5151 7.3736 121.0747 55.0357 31.6805 174.2350 45 S 4.8227 8.6652 117.7110 56.7190 66.1119 173.9981 46 R 3.8591 7.6402 119.0490 56.1831 30.1386 176.9416 47 A 4.0427 8.6991 124.4147 51.5269 19.2677 177.3779 48 A 4.1953 8.1859 123.7600 51.3934 19.2816 176.8097 49 E 4.0002 8.4859 120.4618 57.8815 30.2202 177.3440 50 G 3.9817 9.5882 113.2264 45.8383 0.0000 172.5722 51 T 5.1223 7.5671 108.0942 59.7575 72.2397 173.3872 52 R 4.4785 8.7489 120.2685 54.0478 35.0048 174.5633 53 W 5.0151 9.2307 122.6945 56.2500 30.4925 175.6871 54 V 4.6522 8.7053 125.0146 59.9043 33.9464 174.3586 55 M 4.4236 8.4334 124.2472 53.6268 33.6251 175.1804 56 W 4.9102 8.3558 127.3249 56.7185 30.4334 176.4208 57 F 4.3966 8.9530 122.8544 58.0579 39.0636 174.6127 58 G 4.6332 10.6017 117.1450 44.7785 0.0000 174.0930 59 D 4.7549 7.6066 118.5634 51.1508 41.0111 176.7500 60 G 3.9331 8.3770 107.2704 46.0206 0.0000 173.9102 61 K 4.0968 7.8416 118.6712 56.1858 33.3171 175.9181 62 F 5.4855 8.5894 120.5182 56.2991 41.3950 175.4225 63 S 4.9108 9.0273 117.3983 57.0561 67.8195 173.3938 64 V 3.6147 7.8888 123.7895 62.3744 32.1158 175.3170 65 V 4.4288 8.6116 127.7565 60.8956 34.7583 174.7922 66 C 4.6472 8.6348 125.0642 59.7037 28.9141 175.2779 67 V 3.4116 8.4310 116.5722 64.3477 31.3167 178.5892 68 E 4.1991 8.2271 117.9506 58.4418 29.6618 177.3667 69 K 4.7890 8.2805 118.4393 55.9512 33.4612 175.4638 70 L 5.5759 7.9157 119.4556 53.3315 44.5151 176.0703 71 M 5.3113 9.2610 121.5690 52.6600 36.5299 173.6593 72 P 4.9145 0.0000 0.0000 62.4470 32.3352 177.0298 73 L 4.1979 8.5566 121.6285 58.2810 42.0805 179.4874 74 S 4.2826 8.1159 111.9993 61.1897 62.8636 174.5730 75 S 4.5770 8.2923 117.5703 58.6475 62.9350 176.1442 76 F 4.1558 8.4502 124.6840 62.1216 38.8591 176.2905 77 C 4.3677 8.1830 114.0548 62.7660 27.9983 175.7064 78 S 4.1464 7.8449 115.4128 60.5063 62.6511 175.4327 79 A 3.6798 6.7278 122.0262 52.0633 19.2616 177.7454 80 F 3.6372 7.0951 120.1026 58.5560 39.8494 174.2943 81 H 4.5391 7.9906 127.1539 53.9493 31.5610 173.9119 82 Q 3.7167 8.2589 129.8069 59.0952 28.8376 177.8338 83 A 3.9165 7.5450 121.1801 55.4656 18.4683 179.5796 84 T 3.6266 7.4844 113.6438 66.7217 68.2617 175.9307 85 Y 4.0835 7.1640 120.1769 60.9792 38.8646 177.7840 86 N 4.5528 8.2185 115.9944 55.8258 38.7512 176.7602 87 K 4.5988 7.6523 117.6659 55.6485 33.1191 176.3757 88 Q 4.5666 7.7921 118.2959 53.0211 30.2322 174.2859 89 P 4.2327 0.0000 0.0000 65.7347 31.2511 178.3361 90 M 4.2623 8.1600 116.5297 58.4176 32.1555 177.5452 91 Y 3.2991 8.0668 119.9648 60.4393 38.9091 177.9171 92 R 3.7925 7.8854 118.5903 58.9670 30.0745 178.7755 93 K 3.9242 8.1501 119.2322 59.4725 32.2049 178.7328 94 A 4.1097 8.2900 121.2937 55.1636 18.2754 179.6207 95 I 3.5349 7.7700 118.5368 64.6100 37.2697 177.8029 96 Y 4.0428 8.1896 120.2987 60.8648 38.6048 178.2343 97 E 3.8631 8.4667 119.5443 59.4549 29.6092 179.8428 98 V 2.7189 7.2853 119.0641 64.3075 31.2143 178.1326 99 L 4.2450 7.7585 119.2466 57.0039 41.6943 179.2494 100 Q 3.8134 7.8289 118.3997 58.7976 28.7366 178.9075 101 V 3.5504 7.6911 118.9765 65.8651 31.5963 177.8595 102 A 4.1093 8.1964 120.9152 55.3689 18.3131 179.8322 103 S 3.8642 8.5513 112.9597 61.3444 62.9458 176.6503 104 S 4.0343 7.9613 116.3689 61.3256 61.9272 176.4015 105 R 4.0277 7.7445 119.0211 59.0963 29.9424 178.4260 106 A 4.3929 8.0812 118.6402 52.2909 18.6735 177.9882 107 G 3.6630 7.3813 103.5311 46.0629 0.0000 173.4446 108 K 3.8015 7.7149 121.4023 54.7780 32.1953 175.9567 109 L 4.3585 7.6664 126.2613 52.9033 43.4322 175.9091 110 F 4.8210 8.0331 120.2049 54.7979 41.6105 173.2692 111 P 4.0461 0.0000 0.0000 66.2073 31.7657 177.2310 *124 A 4.3807 7.8254 118.9787 52.2807 20.8544 179.0405 125 V 3.2943 7.5959 114.4676 66.1509 31.4142 177.9017 126 E 4.1443 8.1156 116.5679 59.4590 29.4667 179.2219 127 V 3.7478 7.7157 117.6744 66.3225 30.9898 178.1154 128 Q 4.0291 8.2334 117.6091 58.7953 28.4709 178.5479 129 N 4.6607 8.4086 117.9364 56.0116 38.5527 177.3534 130 K 3.8680 7.7863 120.0704 59.2442 32.2337 177.6606 131 P 4.2802 0.0000 0.0000 65.6386 31.2449 178.6933 132 M 3.7237 7.0286 118.1336 58.1098 31.7956 178.8644 133 I 3.3472 8.2586 120.3644 64.2145 37.2321 178.1987 134 E 3.8254 8.0398 119.4044 59.0377 29.3032 179.0876 135 W 4.2188 8.2778 128.0045 60.5209 30.7758 177.7001 136 A 2.0000 7.3536 120.2521 54.3887 17.3082 179.6852 137 L 3.8814 7.4280 116.3954 57.3580 41.6702 179.0603 138 G 3.8567 7.5199 103.1884 44.5945 0.0000 174.0650 139 G 3.7715 7.1468 108.6593 45.0512 0.0000 174.0054 140 F 2.4589 7.0333 115.4154 57.6534 36.9423 175.8032 141 Q 4.5113 7.9935 117.8532 55.5071 29.3052 175.1125 142 P 4.6448 0.0000 0.0000 63.8687 32.5451 177.3741 143 S 4.1020 8.3147 114.6531 59.4191 63.5643 175.4583 144 G 4.0461 8.6215 110.2626 43.9416 0.0000 171.8514 145 P 3.9466 0.0000 0.0000 65.3411 30.5645 178.6388 146 K 4.0325 8.1148 118.2834 59.2782 31.9047 178.3999 147 G 3.8493 7.7964 105.4362 45.8092 0.0000 174.5931 148 L 4.3519 7.3930 119.6871 54.4564 42.3833 176.8800 149 E 4.1819 7.0768 118.5382 55.1071 30.0957 175.1032 150 P 4.3623 0.0000 0.0000 62.1353 32.0541 174.8442 151 P 4.4300 0.0000 0.0000 63.1240 31.3152 176.1443 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 9 E 8.30 4.12 0.00 2.03 1.76 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 1.47 2.05 0.00 10 Y 8.51 3.93 0.00 3.33 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 11 E 7.46 4.48 0.00 2.05 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 2.31 2.32 0.00 12 D 7.86 4.80 0.00 2.84 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 13 G 8.34 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 14 R 8.32 4.33 0.00 1.99 2.09 0.00 3.42 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.76 0.00 15 G 7.84 3.61 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 0.00 0.00 0.00 16 F 7.52 3.99 0.00 3.06 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 17 G 8.54 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 0.00 0.00 0.00 18 I 8.37 3.93 1.98 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 1.58 0.94 0.93 0.00 0.00 19 G 9.16 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 20 E 7.88 4.26 0.00 2.11 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 2.34 2.33 0.00 21 L 8.58 4.64 0.00 1.62 1.63 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 22 V 9.31 5.13 2.28 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 1.06 0.00 0.00 0.97 0.00 0.00 23 W 9.83 5.48 0.00 3.36 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 10.21 4.95 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 0.00 0.00 0.00 25 K 8.74 4.51 0.00 0.79 0.88 0.00 1.37 0.00 0.00 1.33 0.00 0.00 2.53 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.30 0.21 7.81 26 L 8.11 4.70 0.00 1.65 1.55 0.83 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.30 3.84 0.00 1.73 1.83 0.00 3.19 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 28 G 9.58 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.39 4.82 0.00 2.75 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 30 S 8.70 4.40 0.00 4.12 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 31 W 8.85 4.72 0.00 3.17 3.43 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 32 W 9.85 5.20 0.00 3.56 2.63 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 33 P 0.00 4.52 0.00 2.07 1.47 0.00 2.60 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.05 0.00 34 G 9.32 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 0.00 0.00 0.00 0.00 35 R 8.24 5.27 0.00 1.89 2.12 0.00 2.98 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.43 0.00 36 I 8.58 4.29 2.07 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.98 1.00 0.00 0.00 37 V 8.44 4.73 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 0.61 0.00 0.00 0.96 0.00 0.00 38 S 8.10 4.52 0.00 3.57 2.63 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 39 W 9.14 3.70 0.00 3.74 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 40 W 6.34 3.63 0.00 2.85 1.74 0.00 0.00 0.00 0.00 0.00 0.00 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 M 6.58 3.81 0.00 1.65 1.66 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 42 T 6.62 2.00 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 -0.10 0.00 0.00 43 G 7.66 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 0.00 0.00 0.00 44 R 7.37 4.52 0.00 1.29 1.81 0.00 3.30 0.00 0.00 3.34 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.24 0.00 45 S 8.67 4.82 0.00 3.82 3.84 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 46 R 7.64 3.86 0.00 1.47 1.68 0.00 2.81 0.00 0.00 2.93 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 47 A 8.70 4.04 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 48 A 8.19 4.20 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 49 E 8.49 4.00 0.00 1.96 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 2.33 2.36 0.00 50 G 9.59 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 0.00 0.00 0.00 51 T 7.57 5.12 4.16 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 1.14 0.00 0.00 52 R 8.75 4.48 0.00 1.41 1.45 0.00 2.21 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.48 0.00 53 W 9.23 5.02 0.00 3.62 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 54 V 8.71 4.65 1.69 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 0.36 0.00 0.00 -0.56 0.00 0.00 55 M 8.43 4.42 0.00 1.86 2.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.07 0.00 56 W 8.36 4.91 0.00 3.23 3.09 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 0.00 0.00 0.00 0.00 57 F 8.95 4.40 0.00 3.07 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 58 G 10.60 4.63 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 0.00 0.00 0.00 59 D 7.61 4.75 0.00 2.71 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.38 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 61 K 7.84 4.10 0.00 1.79 1.83 0.00 1.52 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.36 7.81 62 F 8.59 5.49 0.00 2.98 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 63 S 9.03 4.91 0.00 4.01 3.87 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 64 V 7.89 3.61 1.66 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 0.37 0.00 0.00 -0.61 0.00 0.00 65 V 8.61 4.43 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 0.95 0.00 0.00 0.99 0.00 0.00 66 C 8.63 4.65 0.00 2.99 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 67 V 8.43 3.41 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 0.75 0.00 0.00 1.03 0.00 0.00 68 E 8.23 4.20 0.00 1.96 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 2.35 2.45 0.00 69 K 8.28 4.79 0.00 1.70 1.75 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.73 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.34 1.47 7.81 70 L 7.92 5.58 0.00 0.71 0.57 0.37 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 71 M 9.26 5.31 0.00 1.90 1.76 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.40 0.00 72 P 0.00 4.91 0.00 2.28 2.24 0.00 3.90 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.00 0.00 73 L 8.56 4.20 0.00 1.89 1.68 1.03 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.12 4.28 0.00 4.03 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 75 S 8.29 4.58 0.00 4.06 3.77 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 76 F 8.45 4.16 0.00 3.68 3.09 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 0.00 0.00 0.00 0.00 77 C 8.18 4.37 0.00 2.99 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 78 S 7.84 4.15 0.00 3.69 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 79 A 6.73 3.68 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.10 3.64 0.00 1.99 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.99 4.54 0.00 3.07 2.81 0.00 5.67 0.00 0.00 0.00 0.00 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 8.26 3.72 0.00 2.19 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 83 A 7.54 3.92 1.18 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 84 T 7.48 3.63 3.20 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 0.00 0.00 0.00 0.88 0.00 0.00 85 Y 7.16 4.08 0.00 2.86 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 86 N 8.22 4.55 0.00 2.91 2.90 0.00 0.00 7.04 6.99 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 87 K 7.65 4.60 0.00 1.65 1.84 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.44 7.81 88 Q 7.79 4.57 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 89 P 0.00 4.23 0.00 2.18 2.10 0.00 3.63 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 90 M 8.16 4.26 0.00 2.46 2.22 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.88 0.00 91 Y 8.07 3.30 0.00 2.92 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 92 R 7.89 3.79 0.00 1.87 1.74 0.00 2.70 0.00 0.00 2.71 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.46 0.00 93 K 8.15 3.92 0.00 1.97 2.09 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.70 1.48 7.81 94 A 8.29 4.11 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 95 I 7.77 3.53 2.25 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.46 1.22 0.00 0.00 96 Y 8.19 4.04 0.00 3.20 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 97 E 8.47 3.86 0.00 2.10 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 2.50 2.66 0.00 98 V 7.29 2.72 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 0.64 0.00 0.00 0.75 0.00 0.00 99 L 7.76 4.25 0.00 1.77 1.86 0.94 1.23 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 0.00 100 Q 7.83 3.81 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.82 0.00 0.00 0.00 0.00 0.00 1.85 1.84 0.00 101 V 7.69 3.55 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 1.07 0.00 0.00 1.00 0.00 0.00 102 A 8.20 4.11 1.57 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 0.00 103 S 8.55 3.86 0.00 3.93 3.85 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 0.00 0.00 0.00 0.00 104 S 7.96 4.03 0.00 3.98 4.08 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 0.00 105 R 7.74 4.03 0.00 2.08 2.10 0.00 3.28 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 106 A 8.08 4.39 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 7.38 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 0.00 0.00 0.00 108 K 7.71 3.80 0.00 1.22 0.74 0.00 1.22 0.00 0.00 1.55 0.00 0.00 2.40 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.30 0.21 7.81 109 L 7.67 4.36 0.00 1.39 1.36 0.82 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 110 F 8.03 4.82 0.00 2.89 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 P 0.00 4.05 0.00 2.07 2.12 0.00 3.85 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 2.08 2.14 0.00 *124 A 7.83 4.38 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 0.00 125 V 7.60 3.29 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 0.97 0.00 0.00 0.42 0.00 0.00 126 E 8.12 4.14 0.00 2.02 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 2.38 2.38 0.00 127 V 7.72 3.75 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 1.09 0.00 0.00 0.96 0.00 0.00 128 Q 8.23 4.03 0.00 2.50 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.57 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 129 N 8.41 4.66 0.00 3.24 3.06 0.00 0.00 6.87 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 K 7.79 3.87 0.00 1.74 1.84 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.74 7.81 131 P 0.00 4.28 0.00 1.81 2.15 0.00 3.60 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 132 M 7.03 3.72 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.87 0.00 133 I 8.26 3.35 1.69 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.56 0.51 0.00 0.00 134 E 8.04 3.83 0.00 2.18 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 2.27 2.46 0.00 135 W 8.28 4.22 0.00 3.63 3.51 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 0.00 0.00 0.00 0.00 136 A 7.35 2.00 -0.29 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 0.00 137 L 7.43 3.88 0.00 1.50 1.60 0.79 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.52 3.86 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 0.00 139 G 7.15 3.77 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 0.00 0.00 0.00 140 F 7.03 2.46 0.00 3.01 2.55 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 0.00 141 Q 7.99 4.51 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.98 0.00 0.00 0.00 0.00 0.00 2.52 2.30 0.00 142 P 0.00 4.64 0.00 2.20 2.19 0.00 3.88 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 143 S 8.31 4.10 0.00 4.10 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 0.00 144 G 8.62 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 0.00 145 P 0.00 3.95 0.00 2.10 2.01 0.00 3.60 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 2.11 2.16 0.00 146 K 8.11 4.03 0.00 1.77 1.80 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.45 7.81 147 G 7.80 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 L 7.39 4.35 0.00 1.54 1.57 -0.16 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 149 E 7.08 4.18 0.00 1.96 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 2.32 2.35 0.00 150 P 0.00 4.36 0.00 2.06 2.02 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.24 0.00 151 P 0.00 4.43 0.00 2.19 2.04 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 * Residues marked with a * may have inaccurate shift predictions.