NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4596 8.3349 116.7899 57.7985 64.7694 172.8969 3 N 4.7432 7.4539 116.9781 51.7924 42.2569 172.7237 4 T 4.3171 9.0174 118.7504 63.5775 70.3244 174.1609 5 L 4.8711 8.1399 118.6404 54.6189 44.6034 176.6336 6 F 5.0455 7.9598 118.4420 57.5332 42.5766 172.1153 7 D 5.0606 6.7969 122.4751 53.0493 44.3142 173.4873 8 D 4.4112 7.5033 123.3382 54.5850 44.7604 174.6065 9 I 5.2664 7.4529 120.1064 59.5461 40.9069 175.0183 10 F 5.4272 9.7012 123.8771 55.6836 43.5007 173.6705 11 Q 5.7446 8.7160 120.3756 53.1286 31.9995 174.0458 12 V 3.6038 8.7162 126.3842 63.7226 31.9423 175.5549 13 S 4.2934 9.3009 125.1962 60.2371 61.3341 173.3921 14 E 4.8510 8.6429 116.9784 54.4694 34.1517 173.8878 15 V 4.6559 8.3472 122.1386 61.0339 34.3924 174.0585 16 D 4.9293 9.1234 126.8199 51.2414 44.2717 173.6602 17 P 5.3420 0.0000 0.0000 60.3665 30.9317 176.0743 18 G 3.5001 7.8625 106.5982 47.2244 0.0000 172.2433 19 R 3.8041 8.3967 128.2782 57.0915 27.8408 177.9680 20 Y 5.1967 7.3543 113.6969 55.4649 38.9332 175.9098 21 N 4.2929 8.5717 120.9774 55.6215 39.3451 175.8288 22 K 4.7450 7.9917 113.8441 55.6442 35.5679 175.7254 23 V 4.8529 8.2620 120.1560 61.6903 35.5312 173.3023 24 C 5.2462 8.7914 123.2473 58.1219 32.4620 172.9627 25 R 4.7591 9.5675 124.5185 55.7980 31.0763 175.1799 26 I 4.9901 9.5352 127.5815 59.7690 40.8659 174.5163 27 E 5.7856 8.8579 122.4241 54.5813 34.0820 174.3680 28 A 5.2366 8.6633 124.0465 50.6229 23.3357 174.6746 29 A 5.0706 8.4541 121.4586 50.3055 22.0884 176.3660 30 S 4.0634 8.1923 113.9326 57.4739 63.1916 174.8671 31 T 4.4818 7.2890 123.3326 62.3287 69.0079 174.0440 32 T 3.9876 7.2877 124.0040 64.2127 76.2004 175.6806 33 Q 4.1434 8.6473 124.6278 56.8000 30.1326 176.2548 34 D 4.6959 8.5174 122.8940 55.1524 41.6096 177.3486 35 Q 4.4516 7.9541 118.5771 57.0579 32.2507 175.6217 36 C 5.1859 7.9778 118.4528 59.3503 31.2573 173.2847 37 K 4.9851 8.3820 124.8786 55.1372 34.3339 175.6171 38 L 4.7661 8.1691 120.9145 54.3688 46.1061 174.2830 39 T 5.1193 8.6558 121.9983 61.7323 72.0959 172.7979 40 L 5.0426 9.3852 128.5724 53.9528 45.8840 174.5478 41 D 4.8248 8.8516 126.3137 54.3982 42.2791 175.8687 42 I 4.7077 8.4246 120.5249 60.0818 42.7331 174.2547 43 N 4.4901 9.3067 124.8651 52.4897 38.5986 174.9980 44 V 4.3782 7.9762 122.5076 63.0028 31.3300 175.5878 45 E 4.3906 8.4758 120.1270 57.5743 30.6522 176.7785 46 L 4.3158 7.8089 114.6856 53.9356 42.0666 176.5112 47 F 4.7912 7.2127 116.1537 57.1038 41.5903 171.5632 48 P 4.5528 0.0000 0.0000 62.3626 31.9639 176.5014 49 V 4.1063 7.5768 117.7757 61.8171 34.3332 172.9144 50 A 4.7103 7.7306 126.2046 49.5717 21.8471 175.5746 51 A 3.9527 8.4124 123.0461 54.1052 18.8018 175.5457 52 Q 3.6681 9.6053 121.7901 55.8934 25.7846 172.5002 53 D 4.8322 7.9124 119.6028 52.9413 46.1013 174.3824 54 S 5.1026 8.7776 116.9867 57.0794 62.9571 172.2254 55 L 4.8648 8.7868 127.4739 53.8776 44.2929 175.4331 56 T 5.0485 8.3775 120.0063 62.4439 70.7842 173.9556 57 V 4.9381 9.0014 125.0192 61.7098 34.7963 174.5516 58 T 5.6883 8.3131 123.4086 62.4037 72.4052 172.8855 59 I 4.8554 8.6933 123.1398 60.6561 39.8751 176.4881 60 A 4.2788 9.7477 130.8607 53.1089 18.7802 179.4359 61 S 5.0272 8.0794 113.7437 57.2976 63.7123 173.5200 62 S 4.1555 6.8708 113.2375 60.3764 66.5997 177.0613 63 L 4.4457 7.3509 120.1972 55.1466 42.6011 176.2382 64 N 4.6027 7.4228 113.9799 54.7928 41.0809 176.3180 *76 T 4.3481 7.2673 107.3201 62.3394 70.6757 173.2157 77 R 4.3736 8.1121 117.5620 57.0906 34.3763 173.4574 78 S 4.2366 8.4772 112.5618 58.0014 62.7643 174.7567 79 W 4.4109 8.9077 135.0000 57.5291 31.2019 174.9537 80 R 4.4795 7.1531 122.0433 53.1252 32.8606 174.9507 81 P 3.6643 0.0000 0.0000 61.1828 32.6944 173.3358 82 P 3.8437 0.0000 0.0000 62.6654 30.7150 178.3029 83 Q 3.5200 8.7921 121.1078 57.0396 30.0336 174.6309 84 A 4.4477 9.4948 118.8057 52.6112 18.0062 178.9940 85 G 4.0307 8.0502 111.6802 49.6935 0.0000 174.4001 86 D 4.5903 7.6080 120.6764 52.4520 42.3337 173.8930 87 R 4.4714 8.0461 124.8176 54.8562 32.9618 174.2519 88 S 4.2865 8.4113 115.2645 59.0362 63.3260 175.1009 89 L 4.5379 7.9922 121.2045 53.3711 43.1077 176.3324 90 A 4.1682 8.6406 121.6997 52.9922 18.2392 179.1836 91 D 4.6018 8.3027 116.4771 55.3451 39.6602 177.5150 92 D 4.6453 7.7496 122.3147 53.8810 39.4329 174.0596 93 Y 4.7076 7.3663 114.9644 57.8310 42.0736 174.8540 94 D 4.9180 8.7470 120.0079 53.5598 41.8652 175.6588 95 Y 4.8979 7.1695 123.2850 57.5081 42.0977 171.5649 96 V 5.0089 8.6797 126.4408 61.7280 34.3185 174.2154 97 M 4.9265 8.9895 126.9675 53.6336 35.9752 174.0857 98 Y 5.1554 8.5885 120.4307 56.4517 41.4373 174.3581 99 G 3.6914 8.9447 114.1871 45.6529 0.0000 171.3107 100 T 5.1816 9.2342 116.0082 60.5242 73.2811 173.3909 101 A 5.1556 8.2822 123.3715 51.7286 19.0956 176.5247 102 Y 4.5711 8.7770 120.9015 59.1244 39.0718 175.9384 103 K 4.6925 7.1147 121.7735 53.7217 35.8939 174.3079 104 F 4.7542 8.9180 124.7807 55.6450 39.5066 174.7410 105 E 4.3197 9.1130 126.3866 55.6469 31.5889 175.6540 106 E 4.9223 8.2313 119.6670 53.6807 30.2129 177.9530 107 V 3.7351 7.9931 129.3380 62.1511 30.9971 176.3064 108 S 3.6304 8.6528 115.9299 57.8486 64.9035 173.9967 109 K 3.9656 9.7376 124.4827 56.9251 30.4728 176.4042 110 D 4.4963 8.9059 109.3895 53.6737 40.6737 176.6232 111 L 4.8440 7.9839 122.6013 53.4323 41.6953 175.7504 112 I 4.2147 7.9355 123.8737 60.2070 40.2256 173.9030 113 A 4.9081 8.1256 126.2280 49.7062 22.7380 175.4965 114 V 4.0800 7.7765 114.6309 59.3787 35.0493 174.1443 115 Y 4.7139 8.0744 121.9225 56.4481 40.1544 174.3951 116 Y 5.4060 9.0009 120.7066 56.3023 42.1246 174.3950 117 S 4.9916 9.2602 117.7843 56.6323 65.8219 172.8143 118 F 4.6036 9.8945 126.9848 55.4678 38.9138 175.3535 119 G 3.8259 9.1432 116.8797 46.3532 0.0000 170.4038 120 G 4.2587 7.7105 111.5860 45.8370 0.0000 173.9930 121 L 4.1954 8.0689 120.9748 54.3578 42.7557 176.3569 122 L 5.2976 9.8530 124.5494 53.9957 44.7927 175.0311 123 M 5.4390 9.2278 119.1804 54.7234 36.5463 173.7215 124 R 4.4476 9.2235 124.6777 54.7528 33.4697 173.8642 125 L 4.9427 8.0172 128.5426 53.8062 45.2170 174.2748 126 E 5.1885 7.4112 120.5349 54.6092 33.4420 174.7856 127 G 4.1564 9.2816 115.7426 44.0043 0.0000 172.9022 128 N 4.0164 7.0328 123.0141 52.0584 38.1517 172.5175 129 Y 4.8090 6.5797 115.5349 57.1687 42.6310 175.6904 130 R 4.6396 7.2382 121.4781 56.2962 30.5763 178.2173 131 N 4.2940 8.2904 117.1110 56.4281 39.0019 176.8454 132 L 4.5697 7.8908 114.0906 54.4421 41.5128 176.1381 133 N 4.7389 7.3044 114.0824 53.8990 41.2536 174.1484 134 N 4.6523 7.4517 122.4499 53.9331 38.3465 174.8612 135 L 4.2206 7.8370 121.7749 54.4456 42.7502 178.0602 136 K 4.5170 8.2804 119.0668 56.6162 31.8026 177.5615 137 Q 4.2349 7.5508 118.0594 56.2055 28.7674 177.6523 138 E 4.0964 8.8462 119.6477 59.1371 29.9945 176.8746 139 N 4.3662 8.2150 114.7476 53.3434 39.3507 171.9894 140 A 3.6452 8.0054 118.6011 51.6537 18.6614 175.1681 141 Y 4.8958 8.5772 120.8441 57.1236 40.3077 174.8379 142 L 4.7527 9.2723 126.7414 53.3440 44.7588 175.0418 143 L 5.0402 7.9925 123.7838 53.0286 46.1656 175.5814 144 I 5.7680 8.7354 122.4070 59.4599 41.4444 174.2155 145 R 4.9690 9.0833 123.2343 55.3541 32.7607 176.0478 146 R 4.2662 9.1135 120.6328 56.7549 31.7103 175.6058 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 2 S 8.33 4.46 0.00 3.87 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 3 N 7.45 4.74 0.00 2.80 2.67 0.00 0.00 7.07 6.17 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 4 T 9.02 4.32 4.29 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 1.29 0.00 0.00 5 L 8.14 4.87 0.00 1.71 1.78 1.05 0.87 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 6 F 7.96 5.05 0.00 3.18 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 7 D 6.80 5.06 0.00 2.59 2.32 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 8 D 7.50 4.41 0.00 2.55 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 0.00 0.00 0.00 0.00 9 I 7.45 5.27 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.13 1.04 0.00 0.00 10 F 9.70 5.43 0.00 2.93 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 11 Q 8.72 5.74 0.00 2.16 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.95 0.00 0.00 0.00 0.00 0.00 2.47 2.14 0.00 12 V 8.72 3.60 2.22 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 0.91 0.00 0.00 1.04 0.00 0.00 13 S 9.30 4.29 0.00 3.94 4.01 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 14 E 8.64 4.85 0.00 2.09 1.72 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 2.21 2.25 0.00 15 V 8.35 4.66 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 0.85 0.00 0.00 0.94 0.00 0.00 16 D 9.12 4.93 0.00 2.83 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.34 0.00 2.23 2.07 0.00 3.45 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.89 0.00 18 G 7.86 3.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.40 3.80 0.00 1.61 1.84 0.00 3.26 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.45 0.00 20 Y 7.35 5.20 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 21 N 8.57 4.29 0.00 2.74 2.96 0.00 0.00 6.98 7.61 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 22 K 7.99 4.75 0.00 1.61 1.71 0.00 1.63 0.00 0.00 2.01 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.41 7.81 23 V 8.26 4.85 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 0.91 0.00 0.00 0.94 0.00 0.00 24 C 8.79 5.25 0.00 2.94 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 25 R 9.57 4.76 0.00 2.06 1.86 0.00 3.11 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 26 I 9.54 4.99 1.98 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 1.25 0.89 0.93 0.00 0.00 27 E 8.86 5.79 0.00 1.90 1.81 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 2.25 2.17 0.00 28 A 8.66 5.24 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 29 A 8.45 5.07 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 30 S 8.19 4.06 0.00 3.48 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 31 T 7.29 4.48 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 1.18 0.00 0.00 32 T 7.29 3.99 4.13 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 1.10 0.00 0.00 33 Q 8.65 4.14 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 7.13 0.00 0.00 0.00 0.00 0.00 2.70 2.41 0.00 34 D 8.52 4.70 0.00 2.66 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 35 Q 7.95 4.45 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.24 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 36 C 7.98 5.19 0.00 3.16 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 37 K 8.38 4.99 0.00 1.68 1.75 0.00 1.98 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.44 7.81 38 L 8.17 4.77 0.00 1.66 1.49 0.82 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.66 5.12 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 1.32 0.00 0.00 40 L 9.39 5.04 0.00 1.61 1.38 0.87 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.85 4.82 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.42 4.71 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.04 1.37 0.00 0.00 43 N 9.31 4.49 0.00 2.81 2.66 0.00 0.00 6.96 7.87 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 44 V 7.98 4.38 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 1.09 0.00 0.00 1.03 0.00 0.00 45 E 8.48 4.39 0.00 1.92 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 0.00 2.21 2.23 0.00 46 L 7.81 4.32 0.00 1.50 1.59 0.79 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.21 4.79 0.00 3.01 2.92 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 48 P 0.00 4.55 0.00 1.92 1.86 0.00 3.63 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 49 V 7.58 4.11 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 0.68 0.00 0.00 0.53 0.00 0.00 50 A 7.73 4.71 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 51 A 8.41 3.95 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 52 Q 9.61 3.67 0.00 2.28 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 53 D 7.91 4.83 0.00 2.59 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 54 S 8.78 5.10 0.00 3.91 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 55 L 8.79 4.86 0.00 1.75 1.69 1.03 1.01 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 56 T 8.38 5.05 4.37 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 1.33 0.00 0.00 57 V 9.00 4.94 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.77 0.00 0.00 58 T 8.31 5.69 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 1.36 0.00 0.00 59 I 8.69 4.86 2.08 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.73 1.04 0.00 0.00 60 A 9.75 4.28 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 61 S 8.08 5.03 0.00 4.01 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 62 S 6.87 4.16 0.00 3.72 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 63 L 7.35 4.45 0.00 1.46 1.44 0.94 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 64 N 7.42 4.60 0.00 2.59 2.72 0.00 0.00 6.82 7.43 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 *76 T 7.27 4.35 4.48 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 1.46 0.00 0.00 77 R 8.11 4.37 0.00 1.96 1.95 0.00 3.27 0.00 0.00 3.18 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.39 0.00 78 S 8.48 4.24 0.00 3.93 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 79 W 8.91 4.41 0.00 3.27 3.12 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 0.00 0.00 0.00 0.00 80 R 7.15 4.48 0.00 1.45 1.51 0.00 3.18 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.47 0.00 81 P 0.00 3.66 0.00 2.08 2.04 0.00 3.55 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.86 0.00 82 P 0.00 3.84 0.00 2.21 2.14 0.00 3.79 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 2.04 1.98 0.00 83 Q 8.79 3.52 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.26 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 84 A 9.49 4.45 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 85 G 8.05 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 0.00 0.00 0.00 86 D 7.61 4.59 0.00 2.58 2.54 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 87 R 8.05 4.47 0.00 1.73 1.72 0.00 3.27 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 88 S 8.41 4.29 0.00 3.99 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 89 L 7.99 4.54 0.00 1.90 1.59 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.64 4.17 1.28 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 91 D 8.30 4.60 0.00 2.82 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 92 D 7.75 4.65 0.00 2.63 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 0.00 0.00 0.00 0.00 93 Y 7.37 4.71 0.00 2.80 2.93 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 94 D 8.75 4.92 0.00 2.40 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.17 4.90 0.00 2.49 2.35 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 96 V 8.68 5.01 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 1.02 0.00 0.00 0.96 0.00 0.00 97 M 8.99 4.93 0.00 1.56 1.16 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.54 0.00 98 Y 8.59 5.16 0.00 2.48 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 99 G 8.94 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 0.00 0.00 0.00 100 T 9.23 5.18 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 1.28 0.00 0.00 101 A 8.28 5.16 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 8.78 4.57 0.00 2.95 2.92 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 0.00 103 K 7.11 4.69 0.00 1.68 1.33 0.00 1.54 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.45 7.81 104 F 8.92 4.75 0.00 2.89 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 0.00 105 E 9.11 4.32 0.00 2.24 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 2.33 2.34 0.00 106 E 8.23 4.92 0.00 1.84 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 2.21 2.32 0.00 107 V 7.99 3.74 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 0.77 0.00 0.00 0.96 0.00 0.00 108 S 8.65 3.63 0.00 4.20 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 0.00 109 K 9.74 3.97 0.00 1.92 1.71 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.31 1.42 7.81 110 D 8.91 4.50 0.00 2.79 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 0.00 111 L 7.98 4.84 0.00 1.76 1.64 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 112 I 7.94 4.21 1.83 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.45 0.79 0.00 0.00 113 A 8.13 4.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.78 4.08 0.73 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 0.02 0.00 0.00 0.24 0.00 0.00 115 Y 8.07 4.71 0.00 1.63 1.70 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 0.00 116 Y 9.00 5.41 0.00 2.79 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 0.00 0.00 0.00 0.00 117 S 9.26 4.99 0.00 3.66 3.49 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 0.00 118 F 9.89 4.60 0.00 2.77 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 0.00 119 G 9.14 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 0.00 120 G 7.71 4.26 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 0.00 121 L 8.07 4.20 0.00 1.80 1.73 0.96 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 122 L 9.85 5.30 0.00 1.82 1.79 1.02 0.62 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 0.00 123 M 9.23 5.44 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 124 R 9.22 4.45 0.00 1.68 1.58 0.00 3.09 0.00 0.00 2.72 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.46 0.00 125 L 8.02 4.94 0.00 1.56 1.13 0.89 -0.27 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 0.00 126 E 7.41 5.19 0.00 1.94 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 2.23 2.22 0.00 127 G 9.28 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 0.00 0.00 0.00 0.00 128 N 7.03 4.02 0.00 2.81 2.93 0.00 0.00 6.67 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 0.00 129 Y 6.58 4.81 0.00 3.13 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 0.00 130 R 7.24 4.64 0.00 1.83 2.07 0.00 2.68 0.00 0.00 2.66 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 131 N 8.29 4.29 0.00 2.75 2.90 0.00 0.00 7.13 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 0.00 132 L 7.89 4.57 0.00 1.67 1.71 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 133 N 7.30 4.74 0.00 2.66 2.90 0.00 0.00 6.97 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 N 7.45 4.65 0.00 2.77 2.87 0.00 0.00 7.39 8.39 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 0.00 135 L 7.84 4.22 0.00 1.84 1.63 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.28 4.52 0.00 1.48 1.41 0.00 1.39 0.00 0.00 1.10 0.00 0.00 2.54 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.30 0.70 7.81 137 Q 7.55 4.23 0.00 2.53 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 138 E 8.85 4.10 0.00 2.07 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 0.00 2.42 2.31 0.00 139 N 8.21 4.37 0.00 2.86 2.89 0.00 0.00 6.92 7.35 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 0.00 140 A 8.01 3.65 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 0.00 141 Y 8.58 4.90 0.00 2.82 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 0.00 142 L 9.27 4.75 0.00 1.60 1.07 1.05 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.99 5.04 0.00 0.27 0.13 0.76 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.74 5.77 1.57 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.20 0.90 0.00 0.00 145 R 9.08 4.97 0.00 1.80 1.98 0.00 2.75 0.00 0.00 2.78 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 146 R 9.11 4.27 0.00 1.97 2.38 0.00 3.33 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.