NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 N 4.5732 8.4249 118.1910 52.3293 38.2306 177.5707 -4 L 3.8936 8.5960 113.9893 54.3429 42.5465 174.6616 -3 Y 4.3978 9.0542 116.4083 57.0931 39.6963 175.8128 -2 F 3.0623 7.8265 117.9193 58.7701 36.5920 175.7763 -1 Q 3.3265 8.9204 112.7254 56.4685 25.9710 174.1102 0 G 4.2002 8.3532 104.0850 46.5781 0.0000 177.0847 1 V 3.7899 7.9896 114.4305 63.1062 31.8477 175.8390 2 A 5.0374 7.2544 122.1505 49.8846 19.8985 176.5491 3 I 4.5899 8.1753 123.4003 59.7114 39.7446 175.3192 4 K 4.0465 8.6819 128.4861 55.6600 32.7688 175.7448 5 L 4.9752 8.3243 127.2973 53.4029 43.0518 176.5135 6 S 4.6881 9.1060 116.2196 57.6436 64.1790 174.1908 7 S 4.6032 7.4735 115.1016 56.3080 66.6607 174.8596 8 I 3.5236 8.1921 123.5708 64.5534 36.7588 178.1625 9 D 4.2885 8.0121 119.1401 57.7563 40.6248 179.0248 10 Q 3.9223 8.0051 118.2220 58.6283 28.7625 178.4091 11 F 4.0030 8.1591 121.7107 61.5174 39.4136 177.0948 12 E 3.5922 8.3084 118.2202 59.1331 29.1639 179.1985 13 Q 3.8001 8.0299 119.6987 59.0459 29.1160 178.5287 14 V 3.3227 7.7395 119.8257 65.8834 31.3207 178.0307 15 I 3.5994 6.7913 110.7748 63.1170 37.4235 177.5162 16 E 3.9568 7.4121 120.6239 59.2545 29.6589 178.1225 17 E 4.1360 8.0578 116.9896 56.9581 29.8094 176.6428 18 N 4.9888 7.3071 116.3243 50.8143 41.2191 174.1882 19 K 3.8654 8.8257 124.7569 59.1259 33.3375 175.6837 20 Y 5.2717 7.8563 116.7313 56.1643 40.4849 175.4835 21 V 4.7731 9.0232 124.3789 61.3921 34.9737 173.9159 22 F 5.8322 9.6128 126.4495 56.3139 41.0719 175.4024 23 V 5.6465 9.7337 122.0481 60.1894 35.1257 173.6432 24 L 5.1044 8.7036 129.0218 53.0980 44.8444 174.9845 25 K 4.7040 9.4196 126.9298 56.3927 33.4041 175.4355 26 H 5.1988 9.4344 124.9840 54.4550 32.1535 172.5030 27 S 5.1181 8.9693 122.3888 56.8259 64.0712 173.1033 28 E 4.3441 8.6181 124.3691 55.5883 30.7750 177.5442 29 T 4.5846 7.6388 114.4077 60.4124 68.7131 174.9892 30 C 4.6514 7.4753 120.3924 57.1389 34.9139 171.0407 31 P 4.2255 0.0000 0.0000 65.9136 30.9345 178.6613 32 I 3.7130 7.6849 118.0763 64.3530 37.0833 178.2392 33 S 4.1056 8.0457 113.3225 61.3129 62.2584 175.7834 34 A 4.0863 8.3470 123.7857 55.2271 18.0875 179.3285 35 N 4.2608 8.4773 114.8546 56.4624 38.5666 177.4559 36 A 4.0137 8.0625 122.1170 55.3103 18.3985 179.0136 37 Y 3.8297 8.4843 118.4844 60.7337 38.7399 177.7367 38 D 4.2198 8.4510 119.1157 57.5263 41.2602 178.2243 39 Q 3.9276 8.1519 118.4395 58.8373 28.6406 178.6699 40 F 4.0946 8.4321 121.8208 61.5136 39.4170 176.9474 41 N 3.8946 8.0761 116.3488 55.9813 38.1658 177.6167 42 K 3.8171 7.7157 120.0132 59.1877 32.1447 179.1895 43 F 4.0172 8.2857 121.0962 61.3172 39.4007 177.1962 44 L 3.4286 7.6906 118.6479 57.6484 41.1109 178.8724 45 Y 4.2313 7.7204 119.8436 60.2404 38.5759 177.5467 46 E 3.8345 8.1926 120.1385 58.9673 29.8566 178.2673 47 R 4.4762 7.5367 117.7240 54.4456 31.0029 173.8822 48 D 4.0531 7.3576 120.5614 54.2504 39.2423 171.0975 45 D 4.3213 7.9404 119.9436 56.5404 41.8759 177.9467 46 G 3.4445 8.1026 108.7385 47.4673 0.0000 176.5672 47 Y 4.6862 7.4267 117.5240 56.3456 37.9029 173.4822 48 Y 3.9631 7.1376 120.4614 57.9504 35.9423 170.6975 54 L 4.7880 9.1035 119.2331 54.0415 44.7234 175.7317 55 I 4.6441 8.3143 121.7498 60.4006 38.0596 176.5546 56 V 3.6134 8.7612 126.7736 66.3273 31.5445 177.9664 57 Q 4.0387 8.3314 116.4689 59.2938 28.5301 178.3889 58 Q 4.1814 7.8021 114.2610 57.8752 29.6872 176.1147 59 E 4.7697 8.0167 116.9411 54.3920 30.3298 176.6890 60 R 3.8818 7.8676 121.1042 59.2232 30.6204 178.3905 61 D 4.3722 8.1581 118.3200 57.5957 40.7947 178.7746 62 L 3.8968 7.8170 119.8822 58.0799 42.2918 178.6297 63 S 4.0320 8.2448 113.2913 61.5840 62.3669 175.7629 64 D 4.3209 8.5692 121.0847 57.2176 40.8593 177.4521 65 Y 3.9228 8.2061 120.5511 60.7827 38.6655 178.2773 66 I 3.2408 7.8699 120.5796 63.9794 37.0568 178.2322 67 A 4.2191 7.6723 122.7009 54.6689 18.0098 179.8401 68 K 3.9496 7.7753 115.6698 58.9625 32.1783 179.2594 69 K 3.9183 7.6404 119.8781 58.3572 32.1716 177.8432 70 T 4.4892 7.3472 107.1273 60.0710 69.9698 173.4265 71 N 4.1120 7.7280 118.4038 54.4310 37.9393 173.2632 72 V 4.3418 7.3970 115.1562 60.0449 32.9633 175.2126 73 K 4.1017 8.5301 126.9328 56.2403 32.6122 176.3767 74 H 4.2489 8.7449 122.0588 56.7330 30.2339 174.2405 75 E 4.6677 8.3783 124.1802 54.7537 33.5917 174.5354 76 S 4.6603 8.0417 114.1370 56.0969 65.4449 171.8964 77 P 4.7756 0.0000 0.0000 63.0913 33.1785 174.9272 78 Q 4.7813 8.7500 121.3519 54.8476 32.8696 173.0387 79 A 5.4139 9.0145 128.0533 50.2599 22.4582 174.9168 80 F 5.4722 9.8391 118.6047 55.8888 43.5170 173.3461 81 Y 5.1744 9.2193 122.5195 55.9825 41.4534 174.0354 82 F 5.0466 9.5335 125.8318 55.5983 41.9872 174.6962 83 V 4.3809 8.4681 123.6025 61.2851 33.8470 175.3794 84 N 3.8205 9.8842 127.6522 54.3766 36.6003 175.4472 85 G 3.9689 8.4026 103.6208 45.4728 0.0000 174.1375 86 E 4.6478 7.5694 120.3158 56.4234 29.2758 178.8233 *88 V 4.1138 8.3452 109.3103 60.2845 33.6311 174.5968 89 W 5.0612 7.6282 128.0917 56.6092 34.3507 172.6939 90 N 4.7128 7.8632 121.6074 51.6279 40.0027 173.3158 91 R 4.3854 7.4207 117.7285 54.8462 35.5480 173.4925 92 D 4.9019 7.8962 118.8813 51.6313 43.5143 175.9983 93 H 3.6999 8.8650 116.3083 56.8695 27.9437 178.2625 94 G 3.7857 8.7536 113.9063 48.7788 0.0000 173.4210 95 D 4.4015 7.7823 118.4093 55.5478 40.9609 176.4850 96 I 4.2358 7.5558 121.4761 60.5250 36.6441 175.0636 97 N 5.0224 8.6036 122.7069 50.4080 41.7462 175.3032 98 V 3.4713 8.7966 120.2759 66.1271 31.4099 178.1750 99 S 4.1204 7.9970 113.8548 61.3194 63.0883 176.4905 100 S 4.4523 8.5414 119.5439 60.5709 62.6187 176.4118 101 L 2.8258 7.5421 121.6425 57.0326 41.4113 179.0395 102 A 4.0993 7.3764 120.5587 55.2230 17.8298 179.7273 103 Q 4.2541 8.3419 117.6720 58.4070 28.4861 178.7513 104 A 3.5871 6.9575 121.1115 54.8362 18.1692 178.9986 105 E 4.0729 7.4726 114.9838 58.2052 29.8301 176.7861 106 E 4.1291 7.9449 123.9100 56.5699 29.5362 176.5488 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 -5 N 8.42 4.57 0.00 2.74 2.26 0.00 0.00 6.10 6.90 0.00 0.00 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 L 8.60 3.89 0.00 0.85 0.98 0.63 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 -3 Y 9.05 4.40 0.00 3.02 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 -2 F 7.83 3.06 0.00 3.14 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 -1 Q 8.92 3.33 0.00 2.43 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 0 G 8.35 4.20 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 0.00 0.00 0.00 1 V 7.99 3.79 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 0.83 0.00 0.00 0.95 0.00 0.00 2 A 7.25 5.04 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 3 I 8.18 4.59 1.65 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.80 1.09 0.00 0.00 4 K 8.68 4.05 0.00 1.52 1.63 0.00 1.56 0.00 0.00 2.07 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.23 0.68 7.81 5 L 8.32 4.98 0.00 1.61 1.62 1.16 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 6 S 9.11 4.69 0.00 3.93 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.47 4.60 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 8 I 8.19 3.52 1.61 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.44 -0.01 0.00 0.00 9 D 8.01 4.29 0.00 2.62 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 10 Q 8.01 3.92 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 11 F 8.16 4.00 0.00 3.09 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 12 E 8.31 3.59 0.00 1.89 1.86 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 2.39 2.41 0.00 13 Q 8.03 3.80 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 14 V 7.74 3.32 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.41 0.00 0.00 15 I 6.79 3.60 1.37 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.31 -0.17 0.00 0.00 16 E 7.41 3.96 0.00 1.81 2.13 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 2.24 2.31 0.00 17 E 8.06 4.14 0.00 1.99 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 0.00 2.30 2.42 0.00 18 N 7.31 4.99 0.00 2.81 2.80 0.00 0.00 6.93 7.70 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 19 K 8.83 3.87 0.00 1.59 1.48 0.00 1.38 0.00 0.00 1.29 0.00 0.00 2.77 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.30 0.89 7.81 20 Y 7.86 5.27 0.00 3.04 3.02 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 21 V 9.02 4.77 2.25 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 1.23 0.00 0.00 1.06 0.00 0.00 22 F 9.61 5.83 0.00 3.27 3.58 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 23 V 9.73 5.65 2.77 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 1.72 0.00 0.00 1.43 0.00 0.00 24 L 8.70 5.10 0.00 0.35 0.94 0.80 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 25 K 9.42 4.70 0.00 1.89 1.84 0.00 2.11 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.67 7.81 26 H 9.43 5.20 0.00 3.36 3.52 0.00 5.76 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.97 5.12 0.00 3.73 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 28 E 8.62 4.34 0.00 2.01 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 2.45 2.22 0.00 29 T 7.64 4.58 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 1.20 0.00 0.00 30 C 7.48 4.65 0.00 2.93 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 31 P 0.00 4.23 0.00 2.20 2.10 0.00 3.65 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 2.12 2.19 0.00 32 I 7.68 3.71 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.68 0.95 0.00 0.00 33 S 8.05 4.11 0.00 3.88 4.06 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 34 A 8.35 4.09 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.48 4.26 0.00 2.95 2.89 0.00 0.00 6.90 6.97 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 36 A 8.06 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.48 3.83 0.00 2.90 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 38 D 8.45 4.22 0.00 2.91 2.84 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 39 Q 8.15 3.93 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.58 2.66 0.00 40 F 8.43 4.09 0.00 3.06 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 41 N 8.08 3.89 0.00 2.18 1.42 0.00 0.00 7.12 7.50 0.00 0.00 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 K 7.72 3.82 0.00 1.90 1.85 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.57 1.28 7.81 43 F 8.29 4.02 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 44 L 7.69 3.43 0.00 1.43 1.45 0.23 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 7.72 4.23 0.00 3.07 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 46 E 8.19 3.83 0.00 2.25 1.87 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 2.25 2.28 0.00 47 R 7.54 4.48 0.00 1.47 1.59 0.00 3.22 0.00 0.00 2.91 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.50 0.00 48 D 7.36 4.05 0.00 2.78 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 7.94 4.32 0.00 2.76 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 46 G 8.10 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.43 4.69 0.00 2.64 2.81 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 48 Y 7.14 3.96 0.00 3.09 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 54 L 9.10 4.79 0.00 1.71 1.77 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.31 4.64 1.94 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.27 0.95 0.00 0.00 56 V 8.76 3.61 2.13 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 0.96 0.00 0.00 1.05 0.00 0.00 57 Q 8.33 4.04 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 58 Q 7.80 4.18 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.32 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 59 E 8.02 4.77 0.00 1.95 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 2.22 2.39 0.00 60 R 7.87 3.88 0.00 1.80 1.96 0.00 3.29 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 1.65 0.00 61 D 8.16 4.37 0.00 2.66 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 62 L 7.82 3.90 0.00 1.71 1.78 0.74 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.24 4.03 0.00 3.92 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 64 D 8.57 4.32 0.00 2.77 2.65 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 65 Y 8.21 3.92 0.00 3.15 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 66 I 7.87 3.24 1.74 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.09 0.28 0.00 0.00 67 A 7.67 4.22 1.39 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 68 K 7.78 3.95 0.00 1.72 1.66 0.00 1.56 0.00 0.00 1.58 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.42 7.81 69 K 7.64 3.92 0.00 1.27 1.73 0.00 1.64 0.00 0.00 1.85 0.00 0.00 3.24 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.74 1.66 7.81 70 T 7.35 4.49 4.36 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 1.15 0.00 0.00 71 N 7.73 4.11 0.00 2.80 2.88 0.00 0.00 6.92 8.57 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 72 V 7.40 4.34 2.37 0.00 0.00 0.00 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 1.03 0.00 0.00 73 K 8.53 4.10 0.00 1.79 1.75 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.38 7.81 74 H 8.74 4.25 0.00 3.11 3.26 0.00 5.87 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.38 4.67 0.00 1.79 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 0.00 2.31 2.16 0.00 76 S 8.04 4.66 0.00 3.82 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 77 P 0.00 4.78 0.00 2.11 2.16 0.00 3.51 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 78 Q 8.75 4.78 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 1.61 1.95 0.00 79 A 9.01 5.41 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 80 F 9.84 5.47 0.00 3.31 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 81 Y 9.22 5.17 0.00 2.80 2.84 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 82 F 9.53 5.05 0.00 2.92 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 83 V 8.47 4.38 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 0.97 0.00 0.00 0.61 0.00 0.00 84 N 9.88 3.82 0.00 2.70 2.76 0.00 0.00 7.19 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.40 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 86 E 7.57 4.65 0.00 2.03 1.51 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 2.22 2.28 0.00 *88 V 8.35 4.11 2.16 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 0.77 0.00 0.00 1.00 0.00 0.00 89 W 7.63 5.06 0.00 3.23 3.02 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 90 N 7.86 4.71 0.00 1.78 2.29 0.00 0.00 5.87 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 91 R 7.42 4.39 0.00 1.16 1.52 0.00 3.03 0.00 0.00 2.82 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.77 0.00 92 D 7.90 4.90 0.00 2.69 2.52 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 93 H 8.86 3.70 0.00 3.35 3.02 0.00 5.82 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.75 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 0.00 0.00 0.00 95 D 7.78 4.40 0.00 2.87 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 7.56 4.24 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.43 1.00 0.00 0.00 97 N 8.60 5.02 0.00 3.08 2.88 0.00 0.00 6.30 7.58 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 98 V 8.80 3.47 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 1.12 0.00 0.00 1.03 0.00 0.00 99 S 8.00 4.12 0.00 4.07 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 0.00 100 S 8.54 4.45 0.00 4.36 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 0.00 101 L 7.54 2.83 0.00 0.34 0.13 0.68 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.38 4.10 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 0.00 103 Q 8.34 4.25 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.26 0.00 104 A 6.96 3.59 -0.11 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 0.00 105 E 7.47 4.07 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.40 0.00 106 E 7.94 4.13 0.00 2.15 1.85 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 2.30 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.