NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2139 8.3144 121.7889 56.1561 33.1669 174.2141 2 E 4.2642 8.1850 121.8652 53.0258 30.7851 174.2174 3 S 4.3915 8.7378 122.4258 57.9903 66.4160 174.8210 4 A 4.1335 8.4924 124.1366 55.1833 18.0357 179.9689 5 A 4.0365 7.9900 118.8689 54.9673 18.5071 179.6228 6 A 3.9894 8.2417 119.5528 55.1423 18.5349 179.6102 7 K 4.0609 8.4665 120.0086 59.1726 32.2644 178.7027 8 F 4.1627 8.3641 120.7896 61.2832 39.3245 177.0178 9 E 4.0378 8.0964 118.5392 59.3072 29.1363 179.1723 10 R 3.8949 8.1107 118.0012 59.1585 30.1685 177.9691 11 Q 4.1009 7.8898 116.7396 57.2677 29.2123 176.1904 12 H 4.6225 7.7095 113.6046 55.2540 30.5968 173.5186 13 M 4.5057 7.4079 119.3381 53.8673 33.6889 176.7616 14 D 4.7406 8.0373 121.5154 53.6547 42.3361 174.9398 15 S 4.2087 7.7040 117.1745 59.6674 64.0154 175.3306 16 G 3.9706 10.0883 111.3971 45.7374 0.0000 172.5590 17 N 5.1036 7.2643 114.7065 52.2481 42.7342 173.2260 18 S 4.5645 8.1143 112.8280 57.2963 65.8059 175.5189 19 P 4.2307 0.0000 0.0000 64.8427 31.0326 177.5159 20 S 4.6214 7.5868 111.1235 57.8523 63.6561 175.1124 21 S 4.6263 7.8965 113.2079 58.4107 64.3524 174.5928 22 S 4.7775 7.5021 120.5870 56.2658 61.0706 174.2943 23 S 4.3857 8.5653 118.5136 60.1289 63.4091 175.8819 24 N 4.7478 8.0726 117.5060 53.2966 39.1433 175.6405 25 Y 4.0790 8.4355 121.5677 61.3060 38.7083 177.7346 26 C 4.1267 8.2328 116.3454 60.0866 40.1544 175.6896 27 N 4.4314 8.2535 116.1190 56.5448 38.2113 177.0245 28 L 4.0463 7.6609 118.5560 58.2061 41.8736 179.2410 29 M 3.8976 7.7782 117.3940 57.8541 33.3318 178.2657 30 M 4.3559 8.1168 119.8811 55.5640 27.5879 177.3460 *33 R 4.1765 7.3868 114.4680 55.0397 32.6236 176.0221 34 K 4.3631 7.9819 114.5870 58.4492 28.9805 176.0055 35 M 4.7349 8.5748 115.2526 55.3788 32.5226 177.5523 36 T 5.2994 7.7242 104.1801 60.2300 70.4551 173.0860 37 Q 4.3633 8.0952 122.6073 57.1516 29.2769 175.3243 38 G 4.1355 10.5305 119.5762 44.7144 0.0000 173.0930 39 K 3.7467 7.1419 116.4802 54.9989 35.3429 175.0216 40 C 4.9097 8.5768 117.0702 55.4103 40.4493 174.0093 41 K 4.1054 8.7417 127.2740 56.1582 32.5546 174.4862 42 P 4.8205 0.0000 0.0000 64.7460 32.0753 176.3291 43 V 5.1147 7.5634 116.3113 61.4930 35.0007 173.6184 44 N 4.7160 9.1812 123.8684 52.7904 42.7637 172.9252 45 T 4.7726 7.8306 121.7862 61.6698 71.0501 173.4717 46 F 4.6998 8.8329 124.5662 55.6628 41.6740 174.7155 47 V 4.3115 8.4360 123.2856 61.2231 32.7128 176.1752 48 H 4.9002 8.4932 129.9236 54.1753 26.1643 173.7063 49 E 4.7421 7.6590 118.4433 53.4432 34.6025 176.1710 50 S 4.3559 8.3640 114.9640 58.2729 65.0473 174.9772 51 L 3.9697 8.4899 124.3362 58.2010 41.8516 179.1648 52 A 3.9830 7.9533 120.2945 55.4414 18.1985 179.2437 53 D 4.3101 7.8520 115.9624 57.2782 41.1756 178.8726 54 V 3.8286 7.6325 118.3811 65.6677 31.5758 178.2048 55 K 3.9206 8.5447 118.5113 59.4089 31.8160 178.9957 56 A 3.9579 8.2129 120.8466 54.9030 18.0803 179.7155 57 V 3.6948 7.7314 116.6530 66.0262 31.3230 177.0283 58 C 3.6510 8.0126 114.9573 58.2678 39.9916 174.7339 59 S 4.4823 7.7483 115.7068 60.0210 63.4825 174.1387 60 Q 4.6224 8.1025 122.8648 54.3999 30.4503 174.4751 61 K 3.9058 8.6792 122.7111 57.6232 33.0113 177.2955 62 K 3.9111 8.5402 129.3170 56.7656 33.0821 176.0235 63 V 4.4970 8.4786 119.3098 60.3581 36.9768 173.8713 64 T 4.4137 8.1628 118.1567 62.4773 69.7557 176.0865 65 C 4.6777 9.2779 124.5344 56.2727 41.1433 174.8484 66 K 3.8462 8.9705 122.4381 59.7236 31.5988 177.4351 67 N 4.5243 7.9777 112.7288 53.0618 37.6504 175.3779 68 G 4.0497 7.7369 106.9505 45.6890 0.0000 174.6377 69 Q 4.1612 8.7472 119.8218 56.4125 29.1675 176.5876 70 T 4.6104 8.3466 109.8605 61.5670 69.3080 173.9946 71 N 4.9820 7.9871 118.3339 53.7741 38.3532 174.7046 72 C 5.4558 7.5535 114.8017 56.9720 42.5099 172.8504 73 Y 5.1786 9.1173 118.2946 56.3976 42.0477 173.9489 74 Q 5.2311 8.8455 124.9548 54.0032 31.1270 175.3452 75 S 4.5249 8.7976 122.0454 58.3331 63.1483 174.6087 76 K 4.0801 9.4410 125.4308 58.6599 32.2804 177.0824 77 S 4.8255 7.7140 113.0921 56.6085 65.0588 173.4414 78 T 4.2405 8.0090 112.5057 61.8922 70.0014 173.3633 79 M 5.0367 9.1572 120.7280 53.4874 36.8228 175.2168 80 R 4.6411 9.1837 121.3021 55.7988 31.3590 175.8316 81 I 5.1451 8.9007 117.2321 59.3942 42.0716 174.3369 82 T 5.0758 8.5746 118.3466 61.9082 72.4221 172.6616 83 D 4.8581 9.5790 127.3552 53.5101 42.8340 174.1501 84 C 5.5420 9.3362 124.2897 55.3209 38.5337 172.9745 85 R 5.3085 8.7636 123.7668 54.2605 33.4270 174.2589 86 E 4.1565 9.0462 125.6068 57.0597 30.9256 176.8858 87 T 4.3170 8.0578 113.2832 60.2068 71.4053 175.9840 88 G 3.6296 8.7610 110.0504 48.8977 0.0000 175.2076 89 S 4.2404 7.8791 112.3797 58.9619 63.6050 174.3285 90 S 4.0221 7.2117 117.2283 58.5460 62.5573 173.4064 91 K 4.4486 8.4499 127.7108 55.0788 35.3714 174.3273 92 Y 4.3243 8.7227 127.6743 57.6761 39.1603 173.4659 93 P 3.1334 0.0000 0.0000 62.3659 31.5405 176.3677 94 N 4.6826 7.8448 119.3561 52.1767 37.7198 171.4528 95 C 4.4177 8.2966 117.9299 56.1183 35.9780 172.9842 96 A 5.1651 8.2257 126.4674 50.3519 21.4875 174.6647 97 Y 5.1541 9.3243 118.2321 56.1251 42.3760 174.7529 98 K 4.4949 9.4228 124.4271 55.6497 33.9317 175.2757 99 T 4.7902 8.5880 124.4228 62.9289 70.0211 174.4507 100 T 4.6119 8.6555 122.0604 62.0803 72.5097 172.8806 101 Q 4.9317 8.7585 125.7963 55.1098 30.3298 175.4633 102 V 4.4999 8.5831 115.3364 60.5852 37.3156 172.7849 103 E 5.5438 8.5272 120.1964 53.9637 31.9795 175.6497 104 K 4.6638 8.3220 122.4934 55.0794 37.6102 175.0980 105 H 4.8755 9.0346 118.8594 55.7718 29.9452 175.0449 106 I 4.8619 8.7444 115.5788 59.3037 40.8150 174.3479 107 I 4.9106 8.3020 124.0980 59.7344 40.2569 175.1472 108 V 4.7489 8.6117 118.8943 59.4253 36.3416 174.1468 109 A 5.2371 8.7250 123.9376 50.8993 20.9151 175.5592 110 C 5.4171 8.9464 119.3529 55.4955 41.3585 173.4828 111 G 3.9983 9.3213 108.5548 46.2874 0.0000 172.9522 112 G 4.1132 9.1760 106.9295 44.6525 0.0000 172.8711 113 K 4.4125 8.0199 116.9006 53.6022 34.0929 174.9788 114 P 4.4629 0.0000 0.0000 61.8524 32.1963 175.9005 115 S 4.5356 8.3383 114.4404 58.7263 62.6862 173.4462 116 V 4.5983 8.5731 119.2987 58.8018 36.7238 172.7837 117 P 4.8075 0.0000 0.0000 63.1804 31.4495 176.9357 118 V 4.5245 8.5199 115.2484 60.5713 34.0964 174.9074 119 H 4.5370 7.8363 117.5071 55.4619 33.0365 172.1266 120 F 4.7027 8.8131 127.4689 57.1763 39.9733 174.3801 121 D 4.5458 8.2587 126.6271 55.6204 42.0357 175.6061 122 A 4.5671 6.3055 117.2823 51.7009 22.4523 174.3674 123 S 5.2790 8.7791 112.7770 56.9253 66.6203 174.7874 124 V 4.1286 8.8526 120.0241 62.2984 31.3956 174.1689 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 K 8.31 4.21 0.00 1.73 1.80 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.44 7.81 2 E 8.19 4.26 0.00 2.12 1.79 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 2.34 2.37 0.00 3 S 8.74 4.39 0.00 4.10 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 4 A 8.49 4.13 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 5 A 7.99 4.04 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 6 A 8.24 3.99 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.47 4.06 0.00 1.94 2.06 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.61 1.33 7.81 8 F 8.36 4.16 0.00 3.27 3.26 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 9 E 8.10 4.04 0.00 2.25 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 2.48 2.66 0.00 10 R 8.11 3.89 0.00 1.78 2.16 0.00 3.22 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 11 Q 7.89 4.10 0.00 1.73 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.47 0.00 0.00 0.00 0.00 0.00 2.25 2.51 0.00 12 H 7.71 4.62 0.00 2.09 2.84 0.00 5.63 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.41 4.51 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.60 0.00 14 D 8.04 4.74 0.00 2.54 2.51 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 15 S 7.70 4.21 0.00 3.91 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 16 G 10.09 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 17 N 7.26 5.10 0.00 3.01 2.69 0.00 0.00 6.90 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 18 S 8.11 4.56 0.00 3.88 3.91 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 19 P 0.00 4.23 0.00 2.05 2.15 0.00 3.64 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 20 S 7.59 4.62 0.00 3.97 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 21 S 7.90 4.63 0.00 3.80 3.72 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 22 S 7.50 4.78 0.00 3.92 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 23 S 8.57 4.39 0.00 4.00 4.03 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 24 N 8.07 4.75 0.00 2.87 2.88 0.00 0.00 6.74 7.48 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 25 Y 8.44 4.08 0.00 3.16 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 26 C 8.23 4.13 0.00 3.17 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 27 N 8.25 4.43 0.00 2.91 2.95 0.00 0.00 6.92 7.85 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 28 L 7.66 4.05 0.00 1.59 1.56 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 29 M 7.78 3.90 0.00 0.86 1.27 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.66 0.00 30 M 8.12 4.36 0.00 1.71 1.82 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 2.50 0.00 *33 R 7.39 4.18 0.00 2.03 2.09 0.00 3.55 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 34 K 7.98 4.36 0.00 1.93 1.95 0.00 1.78 0.00 0.00 2.40 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.36 7.81 35 M 8.57 4.73 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 36 T 7.72 5.30 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 1.40 0.00 0.00 37 Q 8.10 4.36 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.49 0.00 0.00 0.00 0.00 0.00 2.60 2.32 0.00 38 G 10.53 4.14 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 0.00 0.00 0.00 39 K 7.14 3.75 0.00 1.81 1.57 0.00 1.37 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.28 1.41 7.81 40 C 8.58 4.91 0.00 3.15 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 41 K 8.74 4.11 0.00 1.85 1.79 0.00 1.79 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.44 7.81 42 P 0.00 4.82 0.00 2.15 2.11 0.00 3.91 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 2.14 1.96 0.00 43 V 7.56 5.11 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 0.87 0.00 0.00 0.98 0.00 0.00 44 N 9.18 4.72 0.00 2.63 2.22 0.00 0.00 6.99 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 45 T 7.83 4.77 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 0.73 0.00 0.00 46 F 8.83 4.70 0.00 3.05 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 47 V 8.44 4.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.97 0.00 0.00 48 H 8.49 4.90 0.00 3.06 3.22 0.00 5.69 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.66 4.74 0.00 1.92 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 2.24 2.26 0.00 50 S 8.36 4.36 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.49 3.97 0.00 1.79 1.72 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.95 3.98 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 53 D 7.85 4.31 0.00 2.85 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 54 V 7.63 3.83 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 1.09 0.00 0.00 1.02 0.00 0.00 55 K 8.54 3.92 0.00 1.93 1.82 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.57 7.81 56 A 8.21 3.96 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.73 3.69 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 1.16 0.00 0.00 1.04 0.00 0.00 58 C 8.01 3.65 0.00 2.85 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 59 S 7.75 4.48 0.00 3.94 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 60 Q 8.10 4.62 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.97 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 61 K 8.68 3.91 0.00 1.85 1.76 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.74 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.48 1.44 7.81 62 K 8.54 3.91 0.00 1.72 1.54 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.63 1.21 7.81 63 V 8.48 4.50 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 0.68 0.00 0.00 0.85 0.00 0.00 64 T 8.16 4.41 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 1.24 0.00 0.00 65 C 9.28 4.68 0.00 3.05 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 0.00 66 K 8.97 3.85 0.00 1.88 1.85 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.38 7.81 67 N 7.98 4.52 0.00 2.86 2.90 0.00 0.00 6.25 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 68 G 7.74 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 69 Q 8.75 4.16 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 70 T 8.35 4.61 4.17 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 1.17 0.00 0.00 71 N 7.99 4.98 0.00 3.01 3.08 0.00 0.00 6.05 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 72 C 7.55 5.46 0.00 3.01 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 73 Y 9.12 5.18 0.00 2.85 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 74 Q 8.85 5.23 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 75 S 8.80 4.52 0.00 3.94 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 76 K 9.44 4.08 0.00 1.75 1.90 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.43 7.81 77 S 7.71 4.83 0.00 3.90 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 78 T 8.01 4.24 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 0.98 0.00 0.00 79 M 9.16 5.04 0.00 1.90 1.99 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.66 0.00 80 R 9.18 4.64 0.00 1.95 1.91 0.00 3.06 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 81 I 8.90 5.15 1.92 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 1.38 0.98 0.97 0.00 0.00 82 T 8.57 5.08 4.49 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 1.40 0.00 0.00 83 D 9.58 4.86 0.00 2.71 2.68 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 84 C 9.34 5.54 0.00 2.88 2.79 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 85 R 8.76 5.31 0.00 1.86 1.78 0.00 3.15 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 86 E 9.05 4.16 0.00 1.92 1.73 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 1.80 2.07 0.00 87 T 8.06 4.32 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 1.20 0.00 0.00 88 G 8.76 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 0.00 0.00 0.00 89 S 7.88 4.24 0.00 3.97 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 90 S 7.21 4.02 0.00 3.76 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 91 K 8.45 4.45 0.00 1.73 1.58 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.40 7.81 92 Y 8.72 4.32 0.00 2.95 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 93 P 0.00 3.13 0.00 1.67 0.78 0.00 3.61 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 94 N 7.84 4.68 0.00 2.84 2.72 0.00 0.00 7.06 7.26 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 95 C 8.30 4.42 0.00 3.11 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 96 A 8.23 5.17 1.15 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 0.00 0.00 97 Y 9.32 5.15 0.00 2.80 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 98 K 9.42 4.49 0.00 1.83 1.74 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.45 7.81 99 T 8.59 4.79 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 1.30 0.00 0.00 100 T 8.66 4.61 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 1.24 0.00 0.00 101 Q 8.76 4.93 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 102 V 8.58 4.50 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 0.65 0.00 0.00 0.96 0.00 0.00 103 E 8.53 5.54 0.00 1.79 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 2.14 0.00 104 K 8.32 4.66 0.00 1.70 1.89 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.49 7.81 105 H 9.03 4.88 0.00 3.16 3.39 0.00 5.77 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.74 4.86 1.86 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.84 1.11 0.00 0.00 107 I 8.30 4.91 1.68 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.74 0.82 0.00 0.00 108 V 8.61 4.75 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 0.60 0.00 0.00 0.96 0.00 0.00 109 A 8.73 5.24 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 C 8.95 5.42 0.00 2.78 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 0.00 111 G 9.32 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 9.18 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 0.00 113 K 8.02 4.41 0.00 1.70 1.72 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.39 7.81 114 P 0.00 4.46 0.00 2.13 2.04 0.00 3.50 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 115 S 8.34 4.54 0.00 3.87 3.73 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 0.00 116 V 8.57 4.60 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 0.73 0.00 0.00 0.93 0.00 0.00 117 P 0.00 4.81 0.00 1.96 2.02 0.00 3.61 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 118 V 8.52 4.52 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 0.73 0.00 0.00 1.05 0.00 0.00 119 H 7.84 4.54 0.00 3.23 3.11 0.00 5.85 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.81 4.70 0.00 3.01 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 0.00 121 D 8.26 4.55 0.00 2.57 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 0.00 122 A 6.31 4.57 1.17 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 0.00 0.00 123 S 8.78 5.28 0.00 3.93 4.03 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 0.00 124 V 8.85 4.13 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 0.73 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.