NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 D 4.6901 8.3493 120.1999 54.4359 41.9132 174.7808 13 S 4.5524 8.8456 119.4677 57.6453 64.3576 172.8599 14 Y 4.1744 8.4114 117.9700 58.6516 39.3808 176.7312 15 V 4.5130 7.5649 118.8935 61.5245 33.4937 174.8493 *30 E 4.3501 8.5718 125.0102 56.2655 31.0968 177.6163 31 E 3.9101 8.0521 118.2753 59.1343 29.5137 178.1388 32 Q 4.0397 7.9532 118.9274 58.3259 29.1929 176.8295 33 E 4.0416 7.6980 119.2016 57.9694 29.8899 178.5106 34 K 4.1187 7.6926 118.1981 59.4184 32.6280 178.4469 35 L 3.9404 7.4342 119.1468 58.1752 41.5174 179.6546 36 L 4.0082 7.9710 118.4781 57.7198 41.3552 179.0892 37 K 3.8265 7.5537 116.9671 57.2617 32.3098 177.0296 38 K 4.3675 7.4897 115.6260 56.7783 34.0521 176.5028 39 S 4.3270 7.2852 114.6198 59.3637 62.9013 173.1958 40 C 5.2035 8.7854 119.3876 59.4707 30.7030 172.9970 41 T 5.2783 8.6882 114.6857 60.2562 70.1333 172.5596 42 L 5.2058 9.0494 127.7158 53.1090 44.9391 174.8823 43 Y 4.2934 8.8212 124.5971 56.8410 40.4683 174.1412 44 V 4.6450 8.0841 126.3566 61.1048 34.7100 174.5272 45 G 4.3232 8.7095 114.5654 44.6980 0.0000 172.4573 46 N 4.4068 9.0512 114.8025 53.9812 37.4178 173.9952 47 L 4.2149 7.7605 116.9952 54.0685 42.5870 176.7163 48 S 4.2569 8.6413 116.5585 58.5354 62.8210 175.3908 49 F 4.3921 8.7146 124.7798 60.3689 38.7267 175.7660 50 Y 4.5560 7.4278 116.3446 58.3960 38.2825 176.0381 51 T 4.3693 7.7992 118.2520 63.6600 69.2313 174.6247 52 T 4.5947 9.3149 116.9291 59.8258 72.3643 175.2473 53 E 3.9252 8.6767 121.9499 59.8859 29.4634 178.9826 54 E 4.0459 8.1968 117.8227 59.6001 29.4958 179.2448 55 Q 4.0967 7.8524 117.7791 58.8782 28.7751 178.7686 56 I 3.8798 7.9284 120.9415 64.5659 37.1470 177.7366 57 Y 3.9164 8.2661 117.8559 61.3454 37.5529 178.7838 58 E 4.0295 8.1530 118.4728 59.0579 30.0787 178.3701 59 L 4.0674 8.2921 120.5634 58.4140 42.4427 179.0498 60 F 4.2095 9.0284 117.6011 60.1151 38.8567 177.6288 61 S 5.0138 8.2018 115.9719 60.1522 62.4037 176.0461 62 K 4.2355 8.1168 120.9286 58.0030 32.1479 177.8390 63 S 4.8031 9.6439 113.4626 58.5670 64.1015 174.5849 64 G 4.0662 7.2271 109.1555 45.3256 0.0000 171.0488 65 D 5.0095 8.6356 120.1238 53.8807 41.6641 175.4097 66 I 4.0278 8.3266 125.0671 60.4849 37.6645 175.7663 67 K 3.7771 8.7504 129.5775 58.8001 32.5201 176.7851 68 K 4.5257 7.2140 118.2192 55.3953 35.5413 173.9596 69 I 4.8728 8.1341 125.0886 59.4534 40.9057 174.9094 70 I 4.3451 8.2753 126.0469 59.6862 40.3041 174.6007 71 M 4.3522 8.5545 127.2442 54.4340 33.0830 176.4821 72 G 2.5659 8.2549 111.0021 45.6423 0.0000 172.6391 73 L 5.4156 9.0556 123.7316 51.6368 46.0033 177.3738 74 D 4.3440 8.8802 119.5969 57.8514 41.0983 177.3821 *79 T 4.0040 7.6329 105.8772 60.8810 69.9768 172.3667 80 A 4.0910 8.1226 123.8833 52.4334 18.6528 176.9304 81 C 4.0642 7.9891 120.7110 58.4558 33.0930 174.8563 82 G 4.2843 9.2298 107.3118 46.6780 0.0000 172.2984 83 F 5.3128 7.1277 113.3939 55.7551 41.8052 172.5402 84 C 4.6950 8.6167 113.8446 57.5470 33.5965 172.2508 85 F 5.1165 8.7687 117.5410 55.6824 41.5389 175.3689 86 V 4.4706 8.6756 122.0662 60.9137 34.6661 173.5743 87 E 5.0357 8.8890 129.2273 54.7275 31.8503 175.0408 88 Y 4.7401 8.6607 124.9137 57.1516 39.3920 175.4619 89 Y 4.4705 8.4684 117.3585 60.0860 38.3884 176.6192 90 S 4.9086 8.1371 111.9903 55.5858 66.6065 174.8882 91 R 4.0425 8.7353 121.0454 59.4667 29.8706 178.2589 92 A 4.1811 8.1803 120.3027 55.8050 17.8102 179.2483 93 D 4.3546 8.0607 117.3309 56.8830 40.8408 178.9777 94 A 3.5296 7.4071 119.9258 54.7413 18.3547 179.5854 95 E 4.2008 8.8430 117.8349 59.8181 29.5114 179.2800 96 N 4.2969 8.3814 116.3425 56.1130 38.4503 177.3972 97 A 3.9493 7.6934 122.0090 55.3772 18.2781 179.5547 98 M 3.8449 7.7283 116.2144 58.3951 31.9761 178.8398 99 R 3.8037 7.5640 117.3834 58.1720 30.4123 177.5192 100 Y 4.7336 7.6245 113.2834 57.6799 39.9465 176.5098 101 I 4.0600 7.7792 120.4507 62.3356 38.7893 175.6297 102 N 4.2664 7.9919 116.7497 55.5161 38.7947 174.7296 103 G 3.9597 9.3314 113.9278 45.6640 0.0000 173.1968 104 T 4.3597 7.6267 110.5658 60.1170 70.7703 173.2570 105 R 4.9717 8.2934 121.1086 54.3056 31.8735 174.2347 106 L 4.6731 8.5573 126.9959 54.3896 44.4530 175.8826 107 D 4.4764 9.6922 125.5079 55.7125 38.3912 174.1887 108 D 4.5676 8.4296 114.7689 54.6628 38.9420 173.9201 109 R 4.6956 7.7348 119.3077 54.1552 32.7017 175.5621 110 I 4.3041 8.3370 124.6754 61.2326 37.8694 175.9132 111 I 4.0109 9.0791 129.6949 61.2938 38.4842 175.5341 112 R 5.1096 8.8908 125.2272 54.8618 32.7729 174.6488 113 T 5.1762 9.0345 114.5373 60.3350 71.5273 173.4709 114 D 4.7438 8.7769 120.8945 52.3879 46.0039 174.9221 115 W 4.6520 8.6871 120.6515 57.2687 29.7432 175.1166 116 D 5.2219 8.9133 122.7693 52.2547 42.9779 176.0534 117 A 4.1140 9.0731 127.4869 53.9054 18.7860 176.5713 118 G 4.1874 8.0459 100.7079 42.9357 0.0000 173.6113 119 F 3.8400 8.2561 124.6050 57.6657 40.3018 174.7314 120 K 4.2120 6.3957 123.7701 53.7534 35.8466 175.4675 121 E 4.0525 8.2745 123.0078 57.2530 29.7302 176.3136 122 G 4.2177 9.6873 115.2127 46.3314 0.0000 175.3005 123 R 4.2962 7.5127 116.5794 57.3599 30.2610 176.9365 124 Q 4.8255 8.0363 116.8710 56.1721 29.2854 174.3563 125 Y 5.9628 6.9684 115.6919 55.9048 39.8303 176.0582 126 G 3.9580 8.6508 111.4421 46.0829 0.0000 172.3139 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 12 D 8.35 4.69 0.00 2.68 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 13 S 8.85 4.55 0.00 4.04 3.95 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 14 Y 8.41 4.17 0.00 2.82 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.56 4.51 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 1.00 0.00 0.00 1.11 0.00 0.00 *30 E 8.57 4.35 0.00 2.10 1.95 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 2.26 2.35 0.00 31 E 8.05 3.91 0.00 2.06 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 2.37 2.36 0.00 32 Q 7.95 4.04 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 33 E 7.70 4.04 0.00 1.94 2.17 0.00 0.00 0.00 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 2.33 0.00 34 K 7.69 4.12 0.00 2.03 1.79 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.70 7.81 35 L 7.43 3.94 0.00 1.80 1.74 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.97 4.01 0.00 1.61 1.66 1.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.55 3.83 0.00 1.79 1.70 0.00 1.51 0.00 0.00 1.57 0.00 0.00 3.30 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.29 7.81 38 K 7.49 4.37 0.00 1.84 1.81 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.31 7.81 39 S 7.29 4.33 0.00 3.99 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 40 C 8.79 5.20 0.00 2.98 3.16 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 41 T 8.69 5.28 4.32 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 1.31 0.00 0.00 42 L 9.05 5.21 0.00 1.49 1.45 0.97 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 8.82 4.29 0.00 3.26 2.76 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 44 V 8.08 4.64 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 1.04 0.00 0.00 0.49 0.00 0.00 45 G 8.71 4.32 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 0.00 46 N 9.05 4.41 0.00 2.90 3.10 0.00 0.00 6.93 7.78 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 47 L 7.76 4.21 0.00 1.83 1.61 0.83 0.98 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 48 S 8.64 4.26 0.00 3.92 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 49 F 8.71 4.39 0.00 2.49 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 50 Y 7.43 4.56 0.00 2.97 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 51 T 7.80 4.37 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 1.26 0.00 0.00 52 T 9.31 4.59 4.40 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 0.00 0.00 0.00 1.31 0.00 0.00 53 E 8.68 3.93 0.00 2.05 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 2.61 2.53 0.00 54 E 8.20 4.05 0.00 2.12 2.01 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 2.38 2.43 0.00 55 Q 7.85 4.10 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 56 I 7.93 3.88 1.94 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.78 0.60 0.00 0.00 57 Y 8.27 3.92 0.00 3.27 3.06 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 0.00 0.00 0.00 0.00 58 E 8.15 4.03 0.00 2.04 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 2.36 2.40 0.00 59 L 8.29 4.07 0.00 1.80 1.71 0.81 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 60 F 9.03 4.21 0.00 3.12 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 61 S 8.20 5.01 0.00 4.04 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 62 K 8.12 4.24 0.00 1.87 1.87 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.61 7.81 63 S 9.64 4.80 0.00 4.05 4.10 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 64 G 7.23 4.07 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 0.00 0.00 0.00 65 D 8.64 5.01 0.00 3.03 2.88 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 66 I 8.33 4.03 1.69 0.00 0.00 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 0.54 0.42 0.32 0.00 0.00 67 K 8.75 3.78 0.00 0.79 1.44 0.00 1.43 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.20 0.96 7.81 68 K 7.21 4.53 0.00 1.72 1.40 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.62 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.23 1.37 7.81 69 I 8.13 4.87 1.70 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.08 0.75 0.00 0.00 70 I 8.28 4.35 1.64 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.60 0.54 0.00 0.00 71 M 8.55 4.35 0.00 1.71 1.83 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.38 0.00 72 G 8.25 2.57 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 73 L 9.06 5.42 0.00 1.74 1.71 0.93 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.88 4.34 0.00 2.55 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 *79 T 7.63 4.00 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 1.19 0.00 0.00 80 A 8.12 4.09 1.08 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 0.00 0.00 81 C 7.99 4.06 0.00 2.71 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.23 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 0.00 0.00 0.00 83 F 7.13 5.31 0.00 2.68 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 84 C 8.62 4.69 0.00 2.90 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 85 F 8.77 5.12 0.00 2.90 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 86 V 8.68 4.47 1.68 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 0.18 0.00 0.00 0.08 0.00 0.00 87 E 8.89 5.04 0.00 1.94 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 2.10 2.24 0.00 88 Y 8.66 4.74 0.00 3.03 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 89 Y 8.47 4.47 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 90 S 8.14 4.91 0.00 4.02 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 91 R 8.74 4.04 0.00 1.93 1.99 0.00 3.12 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.79 0.00 92 A 8.18 4.18 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 93 D 8.06 4.35 0.00 2.69 2.49 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 94 A 7.41 3.53 1.55 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 95 E 8.84 4.20 0.00 2.26 2.14 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 2.70 2.85 0.00 96 N 8.38 4.30 0.00 2.85 2.98 0.00 0.00 6.93 6.73 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 97 A 7.69 3.95 1.41 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 0.00 0.00 0.00 98 M 7.73 3.84 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 2.03 0.00 99 R 7.56 3.80 0.00 0.69 0.66 0.00 2.99 0.00 0.00 2.94 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.67 0.00 100 Y 7.62 4.73 0.00 2.89 2.85 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 0.00 101 I 7.78 4.06 1.75 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.72 -0.03 0.00 0.00 102 N 7.99 4.27 0.00 2.75 2.93 0.00 0.00 7.05 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 0.00 103 G 9.33 3.96 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 0.00 0.00 0.00 104 T 7.63 4.36 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 1.26 0.00 0.00 105 R 8.29 4.97 0.00 1.76 1.84 0.00 3.18 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 106 L 8.56 4.67 0.00 1.72 1.49 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 107 D 9.69 4.48 0.00 2.89 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 0.00 108 D 8.43 4.57 0.00 2.84 2.83 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 0.00 109 R 7.73 4.70 0.00 1.78 1.98 0.00 3.11 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 110 I 8.34 4.30 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.48 0.93 0.00 0.00 111 I 9.08 4.01 1.98 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 1.30 0.63 1.04 0.00 0.00 112 R 8.89 5.11 0.00 1.78 1.86 0.00 3.26 0.00 0.00 3.24 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 113 T 9.03 5.18 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 1.38 0.00 0.00 114 D 8.78 4.74 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 W 8.69 4.65 0.00 3.25 3.19 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 0.00 116 D 8.91 5.22 0.00 3.04 2.88 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 0.00 117 A 9.07 4.11 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 0.00 118 G 8.05 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 0.00 119 F 8.26 3.84 0.00 2.45 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 0.00 120 K 6.40 4.21 0.00 1.39 1.34 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.21 1.20 7.81 121 E 8.27 4.05 0.00 1.92 1.82 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 2.33 2.40 0.00 122 G 9.69 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 0.00 0.00 0.00 123 R 7.51 4.30 0.00 1.44 2.15 0.00 3.22 0.00 0.00 3.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.39 0.00 124 Q 8.04 4.83 0.00 1.89 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.89 0.00 0.00 0.00 0.00 0.00 2.40 3.14 0.00 125 Y 6.97 5.96 0.00 3.08 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 0.00 126 G 8.65 3.96 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.